SCHEMBL609877

SCHEMBL609877

C=Cc1ccc(C(C)N2CCCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
MC4R P32245 1/20 0.41
LTA4H P09960 1/20 0.40
CHRM2 P08172 9/20 0.40
CHRM1 P11229 9/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ACHE P22303 1/20 0.37
TEAD1 P28347 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL611190 1.00 CYP2D6 (0.46) CYP2D6MC4RLTA4HCHRM2CHRM1
SCHEMBL613543 0.98 CYP2D6 (0.47) CYP2D6MC4RLTA4HCHRM2CHRM1
SCHEMBL610231 0.91 CYP2D6 (0.55) CYP2D6MC4RCHRM2CHRM1ALDH1A1
SCHEMBL610233 0.80 ACHE (0.48) CYP2D6MC4RTDP1ACHECYP3A4
SCHEMBL610018 0.80 ACHE (0.48) CYP2D6MC4RTDP1ACHECYP3A4
SCHEMBL7453097 0.80 TYR (0.53) CYP2D6MC4RLTA4HCHRM2CHRM1
SCHEMBL614106 0.78 ACHE (0.46) CYP2D6MC4RTDP1ACHECYP3A4
SCHEMBL27585454 0.77 CYP1A2 (0.44) CYP2D6ALDH1A1HPGDKDM4ECYP3A4
SCHEMBL16982012 0.77 CYP2D6 (0.56) CYP2D6MC4RLTA4HCHRM2CHRM1
SCHEMBL16935280 0.76 CYP2D6 (0.50) CYP2D6MC4RLTA4HCHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2857446-B1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2018-03-07 EP disclosed
US-9790359-B2 Tread rubber composition and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2017-10-17 US disclosed
US-20150099823-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2015-04-09 US disclosed
EP-2857446-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE Sumitomo Rubber Industries, Ltd. (JP) 2015-04-08 EP disclosed
US-8367765-B2 Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-05 US disclosed
US-8334339-B2 Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL CO., LTD. (JP) 2012-12-18 US disclosed
US-8299179-B2 Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-30 US disclosed
US-20120041134-A1 CONJUGATED DIENE-BASED POLYMER, CONJUGATED DIENE-BASED POLYMER COMPOSITION, AND PROCESS FOR PRODUCING CONJUGATED DIENE-BASED POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120041135-A1 CONJUGATED DIENE-BASED POLYMER, CONJUGATED DIENE-BASED POLYMER COMPOSITION, AND PROCESS FOR PRODUCING CONJUGATED DIENE-BASED POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120041136-A1 CONJUGATED DIENE-BASED POLYMER, CONJUGATED DIENE-BASED POLYMER COMPOSITION, AND PROCESS FOR PRODUCING CONJUGATED DIENE-BASED POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed