SCHEMBL9834149

SCHEMBL9834149

O=C(NC(C(=O)O)c1ccsc1)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.58
CTRB1 P17538 2/20 0.51
CTSL P07711 1/20 0.51
CTSS P25774 1/20 0.51
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 4/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PPARG P37231 1/20 0.44
TSHR P16473 3/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SYK P43405 1/20 0.44
KLK1 P06870 1/20 0.44
CTSK P43235 2/20 0.43
TACR1 P25103 2/20 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
SCHEMBL9830055 0.88 CTSL (0.50) ATMCTRB1CTSLCTSSCYP3A4
SCHEMBL11614466 0.87 ATM (0.72) ATMCTSLCTSSALDH1A1CYP3A4
SCHEMBL1362502 0.84 ATM (0.77) ATMCTRB1CTSLCTSSALDH1A1
SCHEMBL3255533 0.84 ATM (0.77) ATMCTRB1CTSLCTSSALDH1A1
SCHEMBL7719287 0.84 ATM (0.77) ATMCTRB1CTSLCTSSALDH1A1
SCHEMBL434233 0.84 ATM (0.77) ATMCTRB1CTSLCTSSALDH1A1
SCHEMBL29951738 0.82 CTRB1 (0.49) ATMCTRB1CTSLCTSSALDH1A1
SCHEMBL1764220 0.81 CTRB1 (0.48) ATMCTRB1CTSLCTSSALDH1A1
SCHEMBL1764214 0.81 CTRB1 (0.48) ATMCTRB1CTSLCTSSALDH1A1
SCHEMBL17765000 0.81 ATM (0.67) ATMCTRB1CTSLCTSSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0297782-B1 A THIOPHENE DERIVATIVE AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 1991-05-22 EP disclosed
US-4857543-A TREATMENT OF GASTROINTESTINAL DISORDERS TANABE SEIYAKU CO., LTD. (JP) 1989-08-15 US disclosed
EP-0297782-A1 A thiophene derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-01-04 EP disclosed