SCHEMBL8007448

SCHEMBL8007448

COC(=O)c1ccc(OC(C)=O)c(C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
PKM P14618 2/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 4/20 0.48
TSHR P16473 2/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
KMT2A Q03164 1/20 0.44
USP2 O75604 1/20 0.44
MAOB P27338 1/20 0.44
HPGD P15428 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
XDH P47989 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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
SCHEMBL8148281 0.87 CA1 (0.52) SMN1; SMN2MAPTALDH1A1TSHRKDM4E
SCHEMBL105391 0.86 ALDH1A1 (0.59) SMN1; SMN2MAPTALDH1A1TSHRKDM4E
SCHEMBL31377264 0.81 ALDH1A1 (0.45) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL6090659 0.81 ALDH1A1 (0.45) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL1807138 0.81 XDH (0.54) MAPTXDH
SCHEMBL5874030 0.81 ALDH1A1 (0.56) RAB9ANPC1MAPTALDH1A1TSHR
SCHEMBL30488306 0.81 XDH (0.54) MAPTXDH
SCHEMBL1756642 0.80 MAPT (0.57) RAB9ASMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL24860790 0.79 MAPT (0.43) MAPTALDH1A1KDM4EKMT2AUSP2
SCHEMBL3430038 0.79 KDM4E (0.43) RAB9ASMN1; SMN2MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0594019-B1 1-Biphenylmethyl-pyridone derivatives, their preparation and their use as angiotensin II antagonistes BAYER AG (DE) 2000-02-23 EP disclosed
US-5863930-A ATHEROSCLEROSIS TREATMENT FORMED BY REACTION OF PYRIDONES WITH BIPHENYLMETHYL HALOGEN BAYER AKTIENGESELLSCHAFT (DE) 1999-01-26 US disclosed
US-5596006-A ANTIHYPERTENSIVE, ANTIATHEROSCLEROTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1997-01-21 US disclosed
EP-0594019-A1 Trisubstituted biphenyl as angiotensin II antagonistes BAYER AG (DE) 1994-04-27 EP disclosed