SCHEMBL9507235

SCHEMBL9507235

CC(C)(C)c1cc(CSCCC(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.51
VCAM1 P19320 4/20 0.47
GAA P10253 4/20 0.47
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 4/20 0.44
TSHR P16473 3/20 0.44
MEN1 O00255 3/20 0.44
MAPK1 P28482 3/20 0.44
MAPT P10636 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
BLM P54132 2/20 0.44
ATM Q13315 2/20 0.44
HIF1A Q16665 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
USP2 O75604 1/20 0.44
CYP2D6 P10635 1/20 0.44
LMNA P02545 4/20 0.44
ALOX15 P16050 2/20 0.42
GMNN O75496 1/20 0.42

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
SCHEMBL5872997 0.91 CYP2C19 (0.46) CYP2C19VCAM1GAAKMT2AALDH1A1
SCHEMBL2565848 0.88 VCAM1 (0.51) CYP2C19VCAM1GAAKMT2AALDH1A1
Dimethylamine SCHEMBL1275482 0.88 HSPA5 (0.44) CYP2C19VCAM1GAAKMT2AALDH1A1
SCHEMBL10955606 0.86 GAA (0.46) CYP2C19GAAKMT2AALDH1A1TSHR
Bicarbonate SCHEMBL11433304 0.85 ALDH1A1 (0.50) CYP2C19GAAKMT2AALDH1A1TSHR
SCHEMBL9507166 0.85 ALDH1A1 (0.53) CYP2C19GAAKMT2AALDH1A1TSHR
SCHEMBL2799508 0.84 ALDH1A1 (0.46) CYP2C19VCAM1GAAKMT2AALDH1A1
SCHEMBL1275481 0.84 CYP2C19 (0.40) CYP2C19VCAM1GAAKMT2AALDH1A1
SCHEMBL8339311 0.82 GAA (0.68) CYP2C19VCAM1GAAKMT2AALDH1A1
SCHEMBL10998194 0.82 GAA (0.52) CYP2C19GAAKMT2AALDH1A1TSHR

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-0314623-B1 SUBSTITUTED HYDROXYLAMINE ESTER STABILIZERS CIBA-GEIGY AG (CH) 1993-08-04 EP disclosed
US-5021479-A Stabilize organic materials against oxidative, thermal, actinic degradation CIBA-GEIGY CORPORATION (US) 1991-06-04 US disclosed
US-4983770-A FOR ORGANIC MATERIALS AGAINST OXIDATIVE, THERMAL AND ACTINIC DEGRATION CIBA-GEIGY CORPORATION (US) 1991-01-08 US disclosed
US-4888444-A OXIDATION RESISTANCE, HEAT RESISTANCE CIBA-GEIGY CORPORATION (US) 1989-12-19 US disclosed
EP-0314623-A2 Substituted hydroxylamine ester stabilizers CIBA-GEIGY AG (CH) 1989-05-03 EP disclosed