SCHEMBL1503077

SCHEMBL1503077

C=C(CC)c1ccccc1.C=Cc1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
PTGS2 P35354 1/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
LMNA P02545 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.37

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
Styrene SCHEMBL3717971 0.90 ALDH1A1 (0.54) ALDH1A1CYP3A4TSHRCES2CES1
SCHEMBL5038514 0.85 ALDH1A1 (0.41) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL2376145 0.84 PTGS2 (0.41) ALDH1A1CYP3A4MAPTHPGDTSHR
SCHEMBL8060532 0.84 TAS1R3 (0.49) ALDH1A1TSHRTAS1R3TAS1R1
SCHEMBL472890 0.82 ALDH1A1 (0.48) ALDH1A1CYP3A4MAPTHPGDTSHR
SCHEMBL14958 0.80 MAOA (0.52) ALDH1A1MAPTCES2CES1MAOA
SCHEMBL7560324 0.79 MAOA (0.41) ALDH1A1MAPTCES2CES1MAOA
Styrene SCHEMBL9583045 0.78 ALDH1A1 (0.70) ALDH1A1CYP3A4MAPTHPGDTSHR
SCHEMBL5704306 0.78 ALDH1A1 (0.44) ALDH1A1HPGDMEN1KMT2ANPC1
Styrene SCHEMBL1974109 0.78 ALDH1A1 (0.70) ALDH1A1CYP3A4MAPTHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011510134-A 2011-03-31 JP claimed
EP-2238201-A1 PARTICULATE INTERPENETRATING NETWORK POLYMER Nova Chemicals (International) S.A. (CH) 2010-10-13 EP claimed
WO-2009091454-A1 PARTICULATE INTERPENETRATING NETWORK POLYMER NOVA CHEMICALS (INTERNATIONAL) S.A. (CH) 2009-07-23 WO claimed
US-20090181253-A1 PARTICULATE INTERPENETRATING NETWORK POLYMER NOVA CHEMICALS INC. (US) 2009-07-16 US claimed
US-4788253-A ELASTOMER WITH GRAFTED SHELL IN MATRIX, WEATHER RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1988-11-29 US claimed
EP-3350262-A1 STYRENIC BLOCK COPOLYMER COMPOSITIONS Kraton Polymers U.S. LLC (US) 2018-07-25 EP disclosed
WO-2017049235-A1 STYRENIC BLOCK COPOLYMER COMPOSITIONS KRATON POLYMERS U.S. LLC (US) 2017-03-23 WO disclosed