SCHEMBL10887646

SCHEMBL10887646

CC(C)(Cl)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.52
CES1 P23141 3/20 0.52
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.50
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
ELANE P08246 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GSK3B P49841 2/20 0.45
SRD5A2 P31213 1/20 0.45
MAPK1 P28482 1/20 0.45
PPARA Q07869 2/20 0.44
FABP2 P12104 1/20 0.44
PPARG P37231 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 2/20 0.43

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
SCHEMBL3443593 0.86 CES2 (0.52) CES2CES1ALOX15TSHRPOLB
SCHEMBL198250 0.84 CES2 (0.54) CES2CES1ALOX15TSHRPOLB
SCHEMBL17187854 0.84 CES2 (0.54) CES2CES1ALOX15TSHRPOLB
SCHEMBL4421929 0.84 ALDH1A1 (0.48) ELANESRD5A2MAPK1PPARAFABP2
SCHEMBL10710376 0.82 CA2 (0.53) CES2CES1CA2NPC1RAB9A
SCHEMBL194732 0.82 CES2 (0.52) CES2CES1ALOX15TSHRPOLB
SCHEMBL8648902 0.81 CES2 (0.56) CES2CES1ALOX15TSHRPOLB
SCHEMBL10752558 0.81 CYP2C9 (0.47) POLBRAB9ASMN1; SMN2MAPK1HPGD
SCHEMBL17338720 0.80 HDAC1 (0.41) CES2CES1POLBNPC1RAB9A
SCHEMBL29043915 0.80 CES2 (0.50) CES2CES1CA1CA2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4582862-A QUICK-SETTING PRINTING INKS BASED ON ACRYLATED RESINS CIBA-GEIGY CORPORATION (US) 1986-04-15 US disclosed