SCHEMBL12802191

SCHEMBL12802191

C=CC(=C)Cc1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTBP2 P56545 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.41
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ SHBG P04278 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ GPR84 Q9NQS5 1/20 0.35

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
SCHEMBL12802585 0.81 TAAR1 (0.47) CTBP2TAAR1KMT2AMEN1ALDH1A1
SCHEMBL12802161 0.80 GABRA1 (0.40) MAPTALDH1A1
SCHEMBL705718 0.78 CTBP2 (0.50) CTBP2TAAR1KMT2AMEN1MAPT
SCHEMBL12802120 0.78 TAAR1 (0.44) TAAR1KMT2AMEN1ALDH1A1GAA
SCHEMBL12802271 0.77 THRB (0.38) ALDH1A1
SCHEMBL18543737 0.77 CTBP2 (0.47) CTBP2TAAR1KMT2AMEN1MAPT
SCHEMBL17841723 0.76 APP (0.37) MAPTALDH1A1GAA
SCHEMBL12802374 0.74 THRA (0.46) KMT2AMEN1ALDH1A1PTGS2
SCHEMBL4685576 0.73 TDP1 (0.55) KMT2AMEN1MAPTALDH1A1ATM
SCHEMBL6546767 0.72 MAOA (0.53) CTBP2TAAR1KMT2AMEN1MAPT

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-9587042-B2 Process for producing modified conjugated diene-based polymer, modified conjugated diene-based polymer, and polymer composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-03-07 — — US disclosed
US-8933165-B2 Method for producing modified conjugated diene-based polymer, and method for producing polymer composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-13 — — US disclosed
US-8835564-B2 Method for producing modified conjugated diene-based polymer, and method for producing polymer composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-16 — — US disclosed
US-20140088242-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE-BASED POLYMER, AND METHOD FOR PRODUCING POLYMER COMPOSITION ZEON CORPORATION (JP) 2014-03-27 — — US disclosed
US-20140088256-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE-BASED POLYMER, AND METHOD FOR PRODUCING POLYMER COMPOSITION ZEON CORPORATION (JP) 2014-03-27 — — US disclosed
US-20120252966-A1 PROCESS FOR PRODUCING MODIFIED CONJUGATED DIENE-BASED POLYMER, MODIFIED CONJUGATED DIENE-BASED POLYMER, AND POLYMER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED 2012-10-04 — — US disclosed
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