SCHEMBL7331307

SCHEMBL7331307

CC(C)(C)OC(=O)CNCC(=O)c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
HSD17B3 P37058 3/20 0.42
PTPRC P08575 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PTPN1 P18031 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ABL1 P00519 1/20 0.40
POLB P06746 1/20 0.40
ALPI P09923 1/20 0.40
GAA P10253 1/20 0.40
ALPG P10696 1/20 0.40

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
SCHEMBL7366152 0.84 CA12 (0.45) PTPRCCA12CA1CA2CA7
SCHEMBL834521 0.81 PTPRC (0.57) TSHRPTPRCNPC1RAB9AALDH1A1
SCHEMBL28310196 0.81 MAPT (0.44) TSHRPTPRCNPC1RAB9AALDH1A1
SCHEMBL8421187 0.79 VSIR (0.44) CA1CA2GAABLMTDP1
SCHEMBL2009324 0.79 NR1H4 (0.47) TSHRHSD17B3NPC1RAB9APTPN1
SCHEMBL783009 0.77 CA2 (0.41) PTPRCCA12CA1CA2CA7
SCHEMBL7334309 0.76 NPC1 (0.49) NPC1RAB9APTPN1MAPK1KDM4E
SCHEMBL8171288 0.76 MEN1 (0.52) TSHRPTPRCPOLBTDP1L3MBTL1
SCHEMBL7363019 0.74 KMT2A (0.45) PTPRCALDH1A1KDM4EPOLBTDP1
Hydrochloric Acid SCHEMBL6466892 0.73 HSD17B3 (0.55) TSHRHSD17B3NPC1RAB9APTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-6159964-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-12-12 US disclosed
US-5977101-A Benzimidazoles/Imidazoles Linked to a Fibrinogen Receptor Antagonist Template Having Vitronectin Receptor Antagonist Activity SMITHKLINE BEECHAM CORPORATION (US) 1999-11-02 US disclosed
EP-0906103-A4 1999-04-07 EP disclosed
EP-0906103-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-07 EP disclosed
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
WO-1997024124-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP disclosed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO disclosed