SCHEMBL79729

SCHEMBL79729

N[C@H]([C]=O)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.56
SLC6A2 P23975 2/20 0.52
TAAR1 Q96RJ0 2/20 0.52
MAOA P21397 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
CYP2A6 P11509 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
ALPI P09923 1/20 0.52
PKM P14618 1/20 0.52
PTGS1 P23219 1/20 0.52
XIAP P98170 1/20 0.52
SLC7A5 Q01650 1/20 0.52
LAP3 P28838 3/20 0.48
ANPEP P15144 2/20 0.48
CYP2D6 P10635 1/20 0.48
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47

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
SCHEMBL1263137 1.00 EPHX1 (0.56) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL79728 1.00 EPHX1 (0.56) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL2814002 0.98 EPHX1 (0.54) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL4590113 0.98 EPHX1 (0.54) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL5033051 0.88 SRR (0.49) EPHX1TAAR1ALPIPKMPTGS1
SCHEMBL20704751 0.88 SRR (0.49) EPHX1TAAR1ALPIPKMPTGS1
SCHEMBL10521797 0.85 EPHX1 (0.45) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL6285380 0.83 LTA4H (0.61) SLC6A2MAOASLC6A3PTGS1LAP3
SCHEMBL6285385 0.83 LTA4H (0.61) SLC6A2MAOASLC6A3PTGS1LAP3
SCHEMBL3925001 0.83 LTA4H (0.61) SLC6A2MAOASLC6A3PTGS1LAP3

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 10363 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4384614-A1 MATERIALS AND METHODS TO COMPREHENSIVELY DEFINE ADAPTIVE IMMUNE RESPONSES The University of Hong Kong (HK) 2024-06-19 EP claimed
US-20240189304-A1 BET PROTEIN INHIBITORS AND USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-13 US claimed
CN-118176298-A Materials and methods for comprehensive definition of adaptive immune responses 香港大学 2024-06-11 CN claimed
WO-2024081969-A1 NOVEL THERAPEUTICS FOR PARASITIC INFECTION UNIVERSITY OF SOUTH FLORIDA (US) 2024-04-18 WO claimed
CN-117890337-A Method for genetic coding of 1-methyl-tryptophan 浙江大学绍兴研究院 2024-04-16 CN claimed
WO-2024059632-A1 PRODUCTION OF PROTEINS, INCLUDING SECRETED PROTEINS GINKGO BIOWORKS, INC. (US) 2024-03-21 WO claimed
WO-2024008941-A1 NEW SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS LES LABORATOIRES SERVIER (FR) 2024-01-11 WO claimed
EP-4301368-A1 BET PROTEIN INHIBITORS AND USE THEREOF The Regents of the University of California (US) 2024-01-10 EP claimed
US-20230381267-A1 OXYTOCIN TREATMENT FOR HYPERMOBILE EHLERS-DANLOS SYNDROME BAYLOR COLLEGE OF MEDICINE 2023-11-30 US claimed
EP-4267590-A1 ARGINASE INHIBITORS AND METHODS OF USE THEREOF ONCOARENDI THERAPEUTICS S.A. (PL) 2023-11-01 EP claimed
US-4146614-A TREATMENT OF SCHIZOPHRENIA STATE OF MICHIGAN (US) 1979-03-27 US claimed
US-4143048-A AMINATION SHIONOGI & CO., LTD. (JP) 1979-03-06 US claimed
US-4141901-A REDUCING AN AZIDO DERIVATIVE SHIONOGI & CO., LTD. (JP) 1979-02-27 US claimed
EP-0000559-A1 Pentapeptide-N-alkylamides and their acid addition salts, methods for preparation of these compounds and pharmaceutical formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1979-02-07 EP claimed
EP-0000252-A1 Peptides, pharmaceutical compositions containing the peptides and a process for the preparation of the peptides BEECHAM GROUP PLC (GB) 1979-01-10 EP claimed
US-4125606-A Octapeptide useful for the treatment of diabetes CHOAY S.A. (FR) 1978-11-14 US claimed
US-4082736-A NOVEL IMMUNOLOGICAL ADJUVANT COMPOUNDS AND METHODS OF PREPARATION THEREOF SYNTEX (U.S.A.) INC. (US) 1978-04-04 US claimed
US-4082735-A NOVEL IMMUNOLOGICAL ADJUVANT COMPOUNDS AND METHODS OF PREPARATION THEREOF SYNTEX (U.S.A.) INC. (US) 1978-04-04 US claimed
US-4071622-A Treatment of a mammary or DMBA inducible tumor ABBOTT LABORATORIES (US) 1978-01-31 US claimed
US-4016042-A SYNTHETIC OLIGOPEPTIDE CONTAINING A CHROMOGENIC OR FLUORESCENT GROUP SPLIT OFF BY PROTEOLYTIC ENZYMES PENTAPHARM A.G. (CH) 1977-04-05 US claimed