SCHEMBL6683531

SCHEMBL6683531

CC(C#N)=CC(C)=Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TSHR P16473 1/20 0.52
LMNA P02545 5/20 0.48
MCL1 Q07820 1/20 0.44
MAPT P10636 6/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
AKR1C3 P42330 1/20 0.42
POLB P06746 4/20 0.41
PKM P14618 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FBP1 P09467 1/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL679854 0.84 MCL1 (0.50) ALDH1A1TSHRLMNAMCL1MAPT
SCHEMBL762892 0.84 MCL1 (0.50) ALDH1A1TSHRLMNAMCL1MAPT
SCHEMBL5168254 0.84 MCL1 (0.50) ALDH1A1TSHRLMNAMCL1MAPT
SCHEMBL333872 0.81 GLA (0.44) ALDH1A1TSHRLMNAMCL1MAPT
SCHEMBL3269497 0.80 ALDH1A1 (0.40) ALDH1A1TSHRLMNAMCL1MAPT
SCHEMBL11358314 0.79 LMNA (0.60) ALDH1A1TSHRLMNAMCL1AKR1C3
SCHEMBL2137600 0.77 ALDH1A1 (0.61) ALDH1A1TSHRLMNAMAPTRAB9A
SCHEMBL6910891 0.76 ALDH1A1 (0.40) ALDH1A1TSHRLMNAMCL1MAPT
SCHEMBL3836541 0.75 GLA (0.39) ALDH1A1TSHRLMNAMCL1MAPT
SCHEMBL152966 0.74 ALDH1A1 (0.53) ALDH1A1TSHRLMNAMCL1MAPT

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-5656706-A ADDITION-CONDENSATION COPOLYMER OR ADDITION COPOLYMER THICKENERS; FORMING HIGH VISCOSITY AQUEOUS SOLUTIONS 3V INC. (US) 1997-08-12 US claimed
EP-0658579-B1 Alkyl and/or alkylphenyl poly(oxyalkylene)sorbate copolymers and the use thereof as thickening agents 3V SIGMA SPA (IT) 1997-02-12 EP claimed
EP-0658579-A1 Alkyl and/or alkylphenyl poly(oxyalkylene)sorbate copolymers and the use thereof as thickening agents 3V SIGMA S.p.A (IT) 1995-06-21 EP claimed
CN-102245686-A White expandable polystyrene having improved heat conductivity BASF SE 2011-11-16 CN disclosed
WO-2004056914-A1 ELECTRICALLY INSULATING AND THERMALLY CONDUCTIVE POLYESTER MOLDING MATERIALS BASF AKTIENGESELLSCHAFT (DE) 2004-07-08 WO disclosed
WO-2001009204-A9 CONTROLLED-ARCHITECTURE POLYMERS AND USE THEREOF AS SEPARATION MEDIA SYMYX TECHNOLOGIES INC (US) 2002-09-26 WO disclosed