SCHEMBL7918922

SCHEMBL7918922

COc1ccc(S(=O)(=O)NCCSc2ccc(OCC(=O)O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.62
SMN1; SMN2 Q16637 3/20 0.54
TBXA2R P21731 1/20 0.54
TBXAS1 P24557 1/20 0.54
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
PKM P14618 1/20 0.52
TSHR P16473 3/20 0.52
HSD17B10 Q99714 1/20 0.52
SGMS1 Q86VZ5 1/20 0.52
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
GAA P10253 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL7918986 0.91 ALDH1A1 (0.62) ALDH1A1TBXA2RTBXAS1CYP2C9CYP2C19
SCHEMBL7919288 0.91 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2CYP2C9CYP2C19PKM
SCHEMBL7921068 0.89 TBXA2R (0.67) ALDH1A1TBXA2RTBXAS1CYP2C9CYP2C19
SCHEMBL7919243 0.88 ALDH1A1 (0.59) ALDH1A1TBXA2RTBXAS1CYP2C9CYP2C19
SCHEMBL7920702 0.88 ALDH1A1 (0.62) ALDH1A1TBXA2RTBXAS1CYP2C9CYP2C19
SCHEMBL7919267 0.88 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2TBXA2RTBXAS1CYP2C9
SCHEMBL7920700 0.86 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CYP2C9PKMTSHR
SCHEMBL7919294 0.86 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2TBXA2RPKMTSHR
SCHEMBL7918909 0.85 ALDH1A1 (0.56) ALDH1A1TBXA2RTBXAS1CYP2C9CYP2C19
SCHEMBL7911814 0.85 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2TBXA2RTBXAS1CYP2C9

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-0811375-B1 GLUTAMIC ACID RECEPTOR AGONIST NIPPON SUISAN KAISHA LTD (JP) 2001-01-03 EP disclosed
EP-0811375-A1 GLUTAMIC ACID RECEPTOR AGONIST NIPPON SUISAN KAISHA, LTD. (JP) 1997-12-10 EP disclosed
EP-0469901-B1 Sulfonamide derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 1994-10-19 EP disclosed
US-5189211-A Thromboxane A2 antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 1993-02-23 US disclosed
EP-0469901-A1 Sulfonamide derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1992-02-05 EP disclosed