SCHEMBL8599008

SCHEMBL8599008

N=C(NC(=O)OCc1ccccc1)c1ccc(-c2ccc(C(=O)N3CCC(O)(CC(=O)OC(=O)c4ccccc4)CC3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
FASN P49327 4/20 0.38
TYK2 P29597 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
PKLR P30613 4/20 0.37
ENPP2 Q13822 1/20 0.37
ATXN2 Q99700 1/20 0.37
AVPR1A P37288 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
MASP2 O00187 1/20 0.36
CCR1 P32246 1/20 0.36

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
SCHEMBL8948980 0.84 HDAC3 (0.38) TGM2ALDH1A1LMNATYK2PKLR
SCHEMBL9568095 0.75 TGM2 (0.48) TGM2ALDH1A1LMNAHTR1AHTR1B
SCHEMBL8407202 0.75 YAP1 (0.49) TGM2ALDH1A1LMNAHTR1AHTR1B
SCHEMBL9568156 0.72 TGM2 (0.43) TGM2ALDH1A1LMNAHTR1AHTR1B
SCHEMBL8407251 0.72 SRD5A2 (0.48) LMNAMASP2
SCHEMBL7276193 0.72 LMNA (0.55) LMNAMASP2
SCHEMBL9568140 0.71 TGM2 (0.42) TGM2ALDH1A1LMNAFASNHTR1A
SCHEMBL9568106 0.71 FASN (0.38) TGM2ALDH1A1LMNAFASNHTR1A
SCHEMBL9568146 0.71 YAP1 (0.43) TGM2ALDH1A1LMNAFASNHTR1A
SCHEMBL9568191 0.71 YAP1 (0.43) TGM2ALDH1A1LMNAHTR1AHTR1B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5922763-A ANTICOAGULANT; CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed
US-5736559-A CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS KARL THOMAE GMBH (DE) 1998-04-07 US disclosed
US-5597825-A AGGREGATION INHIBITORS DR. KARL THOMAE GMBH (DE) 1997-01-28 US disclosed
EP-0496378-B1 Biphenylderivatives, drugs containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1995-09-20 EP disclosed
EP-0496378-A1 Biphenylderivatives, drugs containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-07-29 EP disclosed