SCHEMBL3182759

SCHEMBL3182759

CCc1ccc(C)cc1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.47
LMNA P02545 1/20 0.47
CHRM1 P11229 1/20 0.47
SLC6A2 P23975 1/20 0.47
ADRA1A P35348 1/20 0.47
HTR2B P41595 1/20 0.47
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
NPBWR1 P48145 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCHR1 Q99705 1/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
LPAR1 Q92633 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
SCHEMBL16953099 0.83 TRPA1 (0.35) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL599002 0.83 TRPA1 (0.52) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL31190191 0.83 TRPA1 (0.52) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL13851928 0.81 ALDH1A1 (0.36) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL21146699 0.81 LMNA (0.45) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL3846424 0.81 SLC6A2 (0.45) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL22380013 0.81 LMNA (0.50) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL31190193 0.80 TYR (0.42) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL9735383 0.78 CYP1A2 (0.43) TRPA1LMNAALDH1A1CYP1A2CYP2A6
SCHEMBL3844314 0.78 TAAR1 (0.55) TRPA1LMNACHRM1SLC6A2ADRA1A

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
US-20100029860-A1 ALKOXYSILANE-CONTAINING RESIN, MODIFIED ALKOXYSILANE-CONTAINING RESIN, THEIR PRODUCTION METHODS, HOT MELT ADHESIVE, AND RESIN CURED PRODUCT MITSUI CHEMICALS, INC. (JP) 2010-02-04 US disclosed
US-20100022717-A1 A terminal isocyanate group-containing polyamide resin, alkoxysilane-modified polyamide resin, processes for production of the resins, hot-melt adhesive agent, and cured resin product MITSUI CHEMICALS POLYURETHANES, INC. 2010-01-28 US disclosed
EP-2065416-A1 POLYAMIDE RESIN CONTAINING TERMINAL ISOCYANATE GROUP, ALKOXYSILANE-MODIFIED POLYAMIDE RESIN, PROCESSES FOR PRODUCTION OF THE RESINS, HOT-MELT ADHESIVE AGENT, AND CURED RESIN PRODUCT Mitsui Chemicals Polyurethanes, Inc. (JP) 2009-06-03 EP disclosed
EP-0399422-A1 Benzocycloalkane derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1990-11-28 EP disclosed