SCHEMBL7218149

SCHEMBL7218149

O=C(O)CSc1ccsc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.55
ALDH1A1 P00352 1/20 0.48
APEX1 P27695 1/20 0.44
CXCL12 P48061 1/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 2/20 0.42
CTSB P07858 1/20 0.42
ELANE P08246 1/20 0.42
DUSP3 P51452 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
DAO P14920 1/20 0.42
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 2/20 0.39
CDC25B P30305 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
PHGDH O43175 1/20 0.39
CYP3A4 P08684 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL7653870 0.82 SMN1; SMN2 (0.52) FFAR1ALDH1A1LCKFYNDAO
SCHEMBL12276603 0.81 ALDH1A1 (0.46) ALDH1A1APEX1GAAHSD17B10LCK
SCHEMBL11736400 0.79 ANPEP (0.50) ALDH1A1LCKFYNDAOCES2
SCHEMBL26629077 0.78 ALDH1A1 (0.61) ALDH1A1LCKFYNDAO
SCHEMBL7397471 0.74 LCK (0.37) LCKFYNDAOCES2CES1
SCHEMBL7397475 0.74 LCK (0.37) LCKFYNDAOCES2CES1
SCHEMBL9587999 0.72
SCHEMBL9422854 0.72 LCK (0.38) LCKFYNDAOCES2CES1
SCHEMBL74365 0.72 FFAR1 (1.00) FFAR1ALDH1A1APEX1CXCL12GAA
SCHEMBL996922 0.71 FFAR1 (0.65) FFAR1ALDH1A1APEX1CXCL12GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596726-B1 Method of inhibiting epidermal growth factor by treating, with an effective inhibiting amount, a mammal, in need thereof inhibit the epidermal growth factor receptor and related receptors and, in particular, their tyrosine kinase enzyme WARNER LAMBERT COMPANY 2003-07-22 US disclosed
US-5679683-A USEFUL FOR TREATING CANCER, ARTHRITIS, PSORIASIS, VASCULAR RESTENOSIS AND ANGIOGENESIS WARNER-LAMBERT COMPANY (US) 1997-10-21 US disclosed
EP-0741711-A1 TRICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1996-11-13 EP disclosed
WO-1995019970-A1 TRICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1995-07-27 WO disclosed
EP-0340010-B1 Heterocyclic nitromethane derivatives ICI PLC (GB) 1994-08-24 EP disclosed
US-5102905-A For treating side effects of diabetes and galactosemia IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-04-07 US disclosed
US-4031236-A ANTILIPOLYTIC AGENTS, FREE FATTY ACIDS SCHERING AKTIENGESELLSCHAFT (DT) 1977-06-21 US disclosed