SCHEMBL7777940

SCHEMBL7777940

COC(=O)c1ccc(/C=C/c2ccccc2Cc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
MAOB P27338 1/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
PTPN1 P18031 1/20 0.48
SNCA P37840 3/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
TBXA2R P21731 1/20 0.45
PTGER3 P43115 1/20 0.45
PTGER2 P43116 1/20 0.45
PTGDR Q13258 1/20 0.45
MGLL Q99685 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL7770141 0.85 TSHR (0.54) ALDH1A1HTTTSHRTBXA2RPTGER3
SCHEMBL7770140 0.85 TSHR (0.54) ALDH1A1HTTTSHRTBXA2RPTGER3
SCHEMBL23434963 0.82 PTPN1 (0.48) ALDH1A1MAOBCA1CA2PTPN1
SCHEMBL28910579 0.80 PTPN1 (0.55) ALDH1A1MAOBCA1CA2PTPN1
SCHEMBL521422 0.80 TSHR (0.67) ALDH1A1MAOBCA1CA2PTPN1
SCHEMBL521421 0.80 TSHR (0.67) ALDH1A1MAOBCA1CA2PTPN1
SCHEMBL7770345 0.80 CA1 (0.59) MAOBCA1CA2PTPN1SNCA
SCHEMBL7774973 0.80 KMT2A (0.62) ALDH1A1MAOBHTTKMT2AL3MBTL1
SCHEMBL7774977 0.80 KMT2A (0.62) ALDH1A1MAOBHTTKMT2AL3MBTL1
SCHEMBL28667698 0.78 NFE2L2 (0.48) MAOBTBXA2RPTGER3PTGER2PTGDR

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
EP-0809622-B1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS INC (US) 2001-08-29 EP disclosed
EP-0809622-A4 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC (US) 1998-07-08 EP disclosed
EP-0809622-A1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC. (US) 1997-12-03 EP disclosed
WO-1996025383-A1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC. (US) 1996-08-22 WO disclosed
US-5530157-A NON-STEROID ANTIINFLAMMATORY DRUG SCIOS NOVA INC. (US) 1996-06-25 US disclosed