SCHEMBL9329634

SCHEMBL9329634

CC(C)(C)c1cc(O)ccc1S

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
ALOX15 P16050 4/20 0.61
TYR P14679 3/20 0.61
LMNA P02545 3/20 0.61
CYP2C9 P11712 3/20 0.61
HSD17B10 Q99714 2/20 0.61
NR1I2 O75469 1/20 0.61
MIF P14174 1/20 0.61
HTT P42858 1/20 0.61
NFE2L2 Q16236 1/20 0.61
CYP1A2 P05177 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ATP2A2 P16615 1/20 0.42
ATP2A3 Q93084 1/20 0.42
GAA P10253 1/20 0.41
CA2 P00918 4/20 0.39
CA1 P00915 2/20 0.39
TSHR P16473 3/20 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
SCHEMBL14950660 0.79 KIF11 (0.44) ALDH1A1ALOX15TYRLMNACYP2C9
SCHEMBL2160202 0.78 ALDH1A1 (0.70) ALDH1A1ALOX15TYRLMNACYP2C9
E319 SCHEMBL27469266 0.76 ALDH1A1 (1.00) ALDH1A1ALOX15TYRLMNACYP2C9
SCHEMBL30629387 0.76 ALDH1A1 (0.67) ALDH1A1ALOX15TYRLMNACYP2C9
SCHEMBL1972679 0.76 ALDH1A1 (0.35) ALDH1A1ALOX15TYRLMNACYP2C9
E319 SCHEMBL26745 0.76 ALDH1A1 (1.00) ALDH1A1ALOX15TYRLMNACYP2C9
E319 SCHEMBL29350903 0.76 ALDH1A1 (1.00) ALDH1A1ALOX15TYRLMNACYP2C9
SCHEMBL7858673 0.76 ALDH1A1 (0.67) ALDH1A1ALOX15TYRLMNACYP2C9
SCHEMBL10664383 0.76 ALDH1A1 (0.59) ALDH1A1ALOX15TYRLMNACYP2C9
SCHEMBL10176702 0.76 ALDH1A1 (0.59) ALDH1A1ALOX15TYRLMNACYP2C9

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-0479631-B1 Spiro[4,5]decane derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1994-11-02 EP disclosed
EP-0293900-B1 Phenolic thioethers, sulfoxides, and disulfides as inhibitors of 5-lipoxygenase SEARLE & CO (US) 1994-03-16 EP disclosed
EP-0293899-B1 PHENOLIC THIOALKYLAMIDES AS INHIBITORS OF 5-LIPOXYGENASE G.D. Searle & Co. (US) 1993-10-13 EP disclosed
EP-0293895-B1 PHENOLIC THIOETHERS AS INHIBITORS OF 5-LIPOXYGENASE G.D. Searle & Co. (US) 1993-08-11 EP disclosed
EP-0479631-A1 Spiro[4,5]decane derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-04-08 EP disclosed
EP-0206979-B1 BIS(SUBSTITUTED THIOALKYL)HYDROXYL AMINES AND STABILIZED POLYOLEFIN COMPOSITIONS CIBA-GEIGY AG (CH) 1989-12-06 EP disclosed
EP-0293899-A1 Phenolic thioalkylamides as inhibitors of 5-lipoxygenase G.D. Searle & Co. (US) 1988-12-07 EP disclosed
EP-0293900-A2 Phenolic thioethers, sulfoxides, and disulfides as inhibitors of 5-lipoxygenase G.D. Searle & Co. (US) 1988-12-07 EP disclosed
EP-0293895-A1 Phenolic thioethers as inhibitors of 5-lipoxygenase G.D. Searle & Co. (US) 1988-12-07 EP disclosed
EP-0235575-A1 Novel phenolic thioethers as inhibitors of 5-lipoxygenase G.D. Searle & Co. (US) 1987-09-09 EP disclosed
EP-0093922-B1 BENZOXAZIN-2-ONES, THEIR PREPARATION AND THERAPEUTIC AGENTS CONTAINING THESE COMPOUNDS Dr. Karl Thomae GmbH (DE) 1986-12-30 EP disclosed