SCHEMBL10486332

SCHEMBL10486332

CCC(COS(=O)(=O)c1ccc(C)cc1)COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
ALDH1A1 P00352 3/20 0.42
STAT3 P40763 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CA2 P00918 3/20 0.39
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
CA1 P00915 3/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
VDR P11473 1/20 0.39
DHODH Q02127 1/20 0.39
TLR9 Q9NR96 1/20 0.38
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 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
SCHEMBL780731 0.96 GAA (0.42) GAAALDH1A1STAT3CYP3A4CYP2C9
SCHEMBL13365292 0.91 CA2 (0.37) GAAALDH1A1STAT3CYP3A4CYP2C9
SCHEMBL6068413 0.90 APP (0.43) GAAALDH1A1STAT3CYP3A4CYP2C9
SCHEMBL29132700 0.90 CA2 (0.45) GAAALDH1A1STAT3CYP3A4CYP2C9
SCHEMBL6068409 0.90 APP (0.43) GAAALDH1A1STAT3CYP3A4CYP2C9
SCHEMBL2476440 0.88 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19CA2
SCHEMBL13389646 0.88 CA2 (0.37) GAAALDH1A1STAT3CYP3A4CYP2C9
SCHEMBL2151200 0.86 CA12 (0.49) GAAALDH1A1STAT3CYP3A4CYP2C9
SCHEMBL4290352 0.86 CA12 (0.47) GAAALDH1A1STAT3CYP3A4CYP2C9
SCHEMBL29786761 0.86 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4277892-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS Les Laboratoires Servier (FR) 2023-11-22 EP disclosed
CN-116940552-A Spirocyclic hexane derivatives, pharmaceutical compositions containing them and their use as anti-apoptotic inhibitors 法国施维雅药厂 2023-10-24 CN disclosed
WO-2022152705-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS LES LABORATOIRES SERVIER (FR) 2022-07-21 WO disclosed
US-4833157-A ANTIULCER AGENTS MILES INC. (US) 1989-05-23 US disclosed
US-4742080-A Therapeutic method for producing bronchodilation by administration of 15-deoxy-16-hydroxy prostaglandin esters MILES LABORATORIES, INC. (US) 1988-05-03 US disclosed
US-4415592-A ANTISECRETORY AND HYPOTENSIVE AGENTS MILES LABORATORIES, INC. (US) 1983-11-15 US disclosed
US-4331688-A Therapeutic method for inhibiting gastric secretion by administration of 15-deoxy-16-hydroxy prostaglandins MILES LABORATORIES, INC. (US) 1982-05-25 US disclosed
US-4275224-A BRONCHODIALATORS AND ANTI-GASTRIC SECRETION AGENTS MILES LABORATORIES, INC. (US) 1981-06-23 US disclosed
US-4132738-A BRONCHODILATORS, ANTISECRETORY AGENTS MILES LABORATORIES, INC. (US) 1979-01-02 US disclosed