SCHEMBL1129880

SCHEMBL1129880

N#CC(O[C]=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 4/20 0.38
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
USP2 O75604 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.34
PBRM1 Q86U86 1/20 0.34
ALPG P10696 1/20 0.34
CYP2D6 P10635 2/20 0.32
CYP1A2 P05177 1/20 0.32
PKM P14618 1/20 0.32
SRC P12931 1/20 0.32
KMT2A Q03164 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL28396724 0.79 LMNA (0.33) TSHRALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL21114422 0.78 TSHR (0.50) TRPA1TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL3968014 0.78 TSHR (0.50) TRPA1TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL27539710 0.76 TSHR (0.48) TRPA1TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL2162532 0.76 TSHR (0.48) TRPA1TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL2163397 0.74 TSHR (0.46) TRPA1TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL198464 0.74 TSHR (0.46) TRPA1TSHRALDH1A1SMN1; SMN2AKR1C3
SCHEMBL2163468 0.74 TRPA1 (0.52) TRPA1TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL27646183 0.74 TRPA1 (0.52) TRPA1TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL198465 0.74 TSHR (0.46) TRPA1TSHRALDH1A1SMN1; SMN2AKR1C3

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

Claimed or disclosed in 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023092184-A1 COMPOUNDS AND COMPOSITIONS THEREOF FOR THE TREATMENT OF CANCER Clarity Pharmaceuticals Ltd (AU) 2023-06-01 WO disclosed
EP-2282753-A1 ASSAY FOR PATHOGENIC CONFORMERS Novartis AG (CH) 2011-02-16 EP disclosed
EP-2188295-A2 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF Crystalgenomics, Inc. (KR) 2010-05-26 EP disclosed
EP-2155747-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS Acadia Pharmaceuticals Inc. (US) 2010-02-24 EP disclosed
WO-2010018458-A2 PHENOL DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2010-02-18 WO disclosed
WO-2009134942-A1 ASSAY FOR PATHOGENIC CONFORMERS NOVARTIS AG. (CH) 2009-11-05 WO disclosed
EP-2078034-A2 SYNTHESIS OF CARBOHYDRATE-TEMPLATED AMINO ACIDS AND METHODS OF USING SAME The University of Manitoba (CA) 2009-07-15 EP disclosed
WO-2009037570-A2 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2009-03-26 WO disclosed
WO-2008141249-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2008-11-20 WO disclosed
WO-2008141239-A1 IMIDAZOL [1,2-A] PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2008-11-20 WO disclosed
EP-1262966-A2 Optical recording medium and novel azaporphyrin compound Mitsui Chemicals, Inc. (JP) 2002-12-04 EP disclosed
EP-1247655-A1 OPTICAL RECORDING MEDIUM AND NOVEL AZAPORPHYRIN COMPOUNDS Mitsui Chemicals, Inc. (JP) 2002-10-09 EP disclosed
EP-1245571-A1 BENZBISAZOLE COMPOUND AND OPTICAL RECORDING MEDIUM CONTAINING THE COMPOUND Mitsui Chemicals, Inc. (JP) 2002-10-02 EP disclosed
EP-1180765-A1 Optical recording medium and porphycene compound Mitsui Chemicals, Inc. (JP) 2002-02-20 EP disclosed
WO-2000012492-A1 BENZOXAZINE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-09 WO disclosed
US-5663168-A ADMINISTERING INHIBITORS OF HIV ASPARATATE PROTEASES CIBA-GEIGY CORPORATION (US) 1997-09-02 US disclosed
US-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed
EP-0626178-A1 Use of inhibitors of HIV-protease for the treatment of tumorous diseases CIBA-GEIGY AG (CH) 1994-11-30 EP disclosed
EP-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP disclosed
EP-0532466-A2 Derivatives of 5-amino-4-hydroxy-hexanoic acid and their therapeutical use CIBA-GEIGY AG (CH) 1993-03-17 EP disclosed