SCHEMBL1503079

SCHEMBL1503079

C=Cc1ccc(C)cc1.CCC=Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.48
PPARG P37231 1/20 0.41
CYP1B1 Q16678 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR2A P28223 3/20 0.40
RELA Q04206 1/20 0.40
NFE2L2 Q16236 2/20 0.39
IDO1 P14902 1/20 0.38
PAM P19021 1/20 0.38

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 SCHEMBL11312642 0.91 ALDH1A1 (0.58) ALDH1A1TSHRHTR2ARELAIDO1
Styrene SCHEMBL5101848 0.91 ALDH1A1 (0.58) ALDH1A1TSHRHTR2ARELAIDO1
Styrene SCHEMBL27992057 0.89 ALDH1A1 (0.56) ALDH1A1TSHRHTR2ARELAIDO1
Styrene SCHEMBL28445881 0.87 ALDH1A1 (0.54) ALDH1A1TSHRHTR2ARELAIDO1
SCHEMBL659018 0.85 ALDH1A1 (0.52) ALDH1A1TSHRTDP1HTR2ARELA
SCHEMBL659019 0.85 ALDH1A1 (0.52) ALDH1A1TSHRTDP1HTR2ARELA
SCHEMBL5038515 0.85 ALDH1A1 (0.47) ALDH1A1TSHRMAPTTP53TDP1
Styrene SCHEMBL688121 0.84 ALDH1A1 (0.50) ALDH1A1TSHRHTR2ARELANFE2L2
SCHEMBL9861572 0.84 ALDH1A1 (0.42) ALDH1A1TSHRPPARGCYP1B1CYP3A4
Styrene SCHEMBL9583045 0.83 ALDH1A1 (0.70) ALDH1A1TSHRCYP1B1CYP3A4MAPT

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 4 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