SCHEMBL8990183

SCHEMBL8990183

CCSCc1cc(C)cc(CSCC)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.42
BCHE P06276 1/20 0.42
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSPA5 P11021 1/20 0.38
SELL P14151 1/20 0.37
SELP P16109 1/20 0.37
SELE P16581 1/20 0.37
TYR P14679 2/20 0.37
CYP1A2 P05177 1/20 0.34
ALDH1A1 P00352 4/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CYP2D6 P10635 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA2 P00918 1/20 0.32
POLB P06746 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL16572051 0.90 GAA (0.41) AMY1ABCHECYP2C9CYP2C19HIF1A
SCHEMBL16572062 0.84 HSPA5 (0.64) BCHECYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL8990202 0.80 BCHE (0.45) AMY1ABCHECYP2C9CYP2C19HIF1A
SCHEMBL5873009 0.79 CYP2C9 (0.56) AMY1ABCHECYP2C9CYP2C19HIF1A
SCHEMBL5873065 0.77 TYR (0.43) AMY1ABCHECYP2C9CYP2C19HIF1A
SCHEMBL7563496 0.77 TYR (0.43) AMY1ABCHECYP2C9CYP2C19HIF1A
SCHEMBL16572048 0.76 SHBG (0.47) CYP2C9TYRCYP1A2CA2APEX1
SCHEMBL8990194 0.75 BCHE (0.47) AMY1ABCHECYP2C19SMN1; SMN2ALDH1A1
SCHEMBL45859 0.74 GABRA1 (0.52) AMY1ACYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL27820029 0.74 TRPA1 (0.45) AMY1ACYP2C9CYP2C19SMN1; SMN2TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980134-B2 Stabilization and surface modification of organic materials BASF SE (DE) 2015-03-17 US disclosed
EP-0273013-B2 Substituted phenols as stabilizers CIBA GEIGY AG (CH) 1996-07-24 EP disclosed
US-5427701-A Heat and oxidation resistance, photostability CIBA-GEIGY CORPORATION (US) 1995-06-27 US disclosed
US-5376290-A For elastomers; heat and oxidation resistance, photostability CIBA-GEIGY CORPORATION (US) 1994-12-27 US disclosed
US-5008459-A For elastomers; registance to heat aging CIBA-GEIGY CORPORATION (US) 1991-04-16 US disclosed
EP-0273013-A1 Substituted phenols as stabilizers CIBA-GEIGY AG (CH) 1988-06-29 EP disclosed