SCHEMBL7770404

SCHEMBL7770404

COC(=O)c1ccc(C=Cc2cccc(-c3ccccc3)c2S)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.47
PTPN1 P18031 2/20 0.46
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
PDCD1 Q15116 2/20 0.42
CD274 Q9NZQ7 2/20 0.42
SNCA P37840 1/20 0.42
BACE1 P56817 1/20 0.41

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
SCHEMBL6239739 0.88 EGFR (0.52) EGFRPTPN1NPC1RAB9ATSHR
SCHEMBL6239748 0.88 EGFR (0.52) EGFRPTPN1NPC1RAB9ATSHR
SCHEMBL7770398 0.85 PTPN1 (0.48) EGFRPTPN1NPC1RAB9ATSHR
SCHEMBL7532838 0.79 EGFR (0.60) EGFRPTPN1NPC1RAB9ATSHR
SCHEMBL7532835 0.79 EGFR (0.60) EGFRPTPN1NPC1RAB9ATSHR
SCHEMBL7770411 0.79 SLC6A4 (0.55) EGFRPTPN1NPC1RAB9AALDH1A1
SCHEMBL7770408 0.79 SLC6A4 (0.55) EGFRPTPN1NPC1RAB9AALDH1A1
SCHEMBL521422 0.78 TSHR (0.67) PTPN1NPC1RAB9ATSHRALDH1A1
SCHEMBL521421 0.78 TSHR (0.67) PTPN1NPC1RAB9ATSHRALDH1A1
SCHEMBL7777898 0.76 BACE1 (0.56) PTPN1NPC1RAB9ATSHRALDH1A1

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