SCHEMBL49338

SCHEMBL49338

COc1ccc(/C=C/NC=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
CYP3A4 P08684 3/20 0.57
CYP2A6 P11509 1/20 0.57
MAPT P10636 1/20 0.57
KDM4E B2RXH2 2/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
GSK3B P49841 1/20 0.55
TRPA1 O75762 1/20 0.53
RELA Q04206 1/20 0.53
F3 P13726 2/20 0.53
HDAC3 O15379 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
ESR1 P03372 2/20 0.52
TUBB1 Q9H4B7 2/20 0.52
CYP1A2 P05177 2/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6233317 1.00 ALDH1A1 (0.57) ALDH1A1CYP3A4CYP2A6MAPTKDM4E
SCHEMBL49339 1.00 ALDH1A1 (0.57) ALDH1A1CYP3A4CYP2A6MAPTKDM4E
SCHEMBL23209621 0.98 ALDH1A1 (0.56) ALDH1A1CYP3A4CYP2A6MAPTKDM4E
SCHEMBL9320106 0.80 CYP1A1 (0.61) MAPTKDM4EHDAC6ESR1TUBB1
SCHEMBL9320099 0.80 CYP1A1 (0.61) MAPTKDM4EHDAC6ESR1TUBB1
SCHEMBL9322786 0.78 RELA (0.59) RELATUBB1CYP1A2CYP1A1CYP19A1
SCHEMBL9322769 0.78 RELA (0.59) RELATUBB1CYP1A2CYP1A1CYP19A1
SCHEMBL9320085 0.78 MAPT (0.60) ALDH1A1CYP3A4MAPTKDM4ELMNA
SCHEMBL9320094 0.78 MAPT (0.60) ALDH1A1CYP3A4MAPTKDM4ELMNA
SCHEMBL13790336 0.78 RELA (0.81) ALDH1A1CYP3A4MAPTKDM4ELMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 2876 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240241139-A1 DIAGNOSIS OF AUTISM SPECTRUM DISORDER BY MULTIOMICS PLATFORM YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2024-07-18 US claimed
EP-4374848-A1 ANTIBIOTIC PHARMACEUTICAL COMPOSITION CAPABLE OF SUBCUTANEOUS ADMINISTRATION Shanghai Bao Pharmaceuticals Co., Ltd. (CN) 2024-05-29 EP claimed
EP-4355766-A1 GENE THERAPY FOR TUBEROUS SCLEROSIS Bridgebio Gene Therapy Research, Inc. (US) 2024-04-24 EP claimed
US-11958887-B2 Gene therapy for tuberous sclerosis THE GENERAL HOSPITAL CORPORATION (US) 2024-04-16 US claimed
EP-4348265-A2 DIAGNOSIS OF AUTISM SPECTRUM DISORDER BY MULTIOMICS PLATFORM Yissum Research Development Company of the Hebrew University of Jerusalem Ltd. (IL) 2024-04-10 EP claimed
US-20240025984-A1 CYTOSOLIC PROTEIN TARGETING DEUBIQUITINASES AND METHODS OF USE FLUX THERAPEUTICS, INC. 2024-01-25 US claimed
US-20240002473-A1 MEMBRANE PROTEIN TARGETING ENGINEERED DEUBIQUITINASES AND METHODS OF USE THEREOF FLUX THERAPEUTICS, INC. 2024-01-04 US claimed
CN-116806223-A Engineered deubiquitinase targeting cytoplasmic proteins and methods of use thereof 弗勒克斯治疗股份有限公司 2023-09-26 CN claimed
CN-116802198-A Engineered deubiquitinase targeting membrane proteins and methods of use thereof 弗勒克斯治疗股份有限公司 2023-09-22 CN claimed
EP-4240754-A1 MEMBRANE PROTEIN TARGETING ENGINEERED DEUBIQUITINASES AND METHODS OF USE THEREOF Flux Therapeutics, Inc. (US) 2023-09-13 EP claimed
EP-0792371-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-09-03 EP claimed
EP-0786999-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-08-06 EP claimed
WO-1997009973-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-03-20 WO claimed
EP-0759750-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO, Howard, K. (US) 1997-03-05 EP claimed
EP-0733110-A1 TUBEROUS SCLEROSIS 2 GENE AND USES THEREOF University of Wales College of Medicine (GB) 1996-09-25 EP claimed
US-5543417-A 5 Alpha-reductase inhibitor and at least one of an antibacterial agent, a keratolytic agent or an anti-inflammatory agent MERCK & CO., INC. (US) 1996-08-06 US claimed
WO-1996012487-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 WO claimed
WO-1996012817-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 WO claimed
WO-1995031194-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1995-11-23 WO claimed
WO-1995018226-A1 TUBEROUS SCLEROSIS 2 GENE AND USES THEREOF UNIVERSITY OF WALES COLLEGE OF MEDICINE (GB) 1995-07-06 WO claimed