SCHEMBL7770398

SCHEMBL7770398

COC(=O)c1ccc(/C=C/c2cccc(S)c2-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.48
TSHR P16473 1/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
KMT2A Q03164 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
SNCA P37840 1/20 0.43
EGFR P00533 1/20 0.43
CDC25B P30305 1/20 0.43
DUSP3 P51452 1/20 0.43
MEN1 O00255 3/20 0.42

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
SCHEMBL7770404 0.85 EGFR (0.47) PTPN1TSHRNPC1RAB9AALDH1A1
SCHEMBL6239748 0.82 EGFR (0.52) PTPN1TSHRNPC1RAB9AALDH1A1
SCHEMBL6239739 0.82 EGFR (0.52) PTPN1TSHRNPC1RAB9AALDH1A1
SCHEMBL7532835 0.81 EGFR (0.60) PTPN1TSHRNPC1RAB9AALDH1A1
SCHEMBL7532838 0.81 EGFR (0.60) PTPN1TSHRNPC1RAB9AALDH1A1
SCHEMBL521421 0.80 TSHR (0.67) PTPN1TSHRNPC1RAB9AALDH1A1
SCHEMBL521422 0.80 TSHR (0.67) PTPN1TSHRNPC1RAB9AALDH1A1
SCHEMBL28910579 0.77 PTPN1 (0.55) PTPN1TSHRNPC1RAB9AALDH1A1
SCHEMBL23434864 0.77 PTPN1 (0.51) PTPN1TSHRNPC1RAB9AALDH1A1
SCHEMBL5252570 0.76 RELA (0.60) PTPN1TSHRNPC1RAB9AALDH1A1

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