SCHEMBL9348456

SCHEMBL9348456

Cc1cccc(-c2cccc3c2C(c2cccc(C)c2C)c2ccccc2-3)c1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.39
HTR2A P28223 2/20 0.39
HTR2B P41595 2/20 0.39
GPR3 P46089 1/20 0.34
PBRM1 Q86U86 2/20 0.33
HTR7 P34969 2/20 0.33
NUDT1 P36639 3/20 0.33
TNKS2 Q9H2K2 1/20 0.33
MYC P01106 1/20 0.33
TRPA1 O75762 1/20 0.32
ATM Q13315 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32

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
SCHEMBL29875704 0.87 HTR2C (0.44) HTR2CHTR2AHTR2BGPR3PBRM1
SCHEMBL27910181 0.87 HTR2C (0.44) HTR2CHTR2AHTR2BGPR3PBRM1
SCHEMBL8984572 0.81 GPR3 (0.41) HTR2CHTR2AHTR2BGPR3PBRM1
SCHEMBL1667065 0.81 HTR2A (0.41) HTR2CHTR2AHTR2BGPR3PBRM1
SCHEMBL1304934 0.80 HTR2A (0.48) HTR2AGPR3
SCHEMBL29490167 0.80 HTR2A (0.48) HTR2AGPR3
SCHEMBL17150269 0.79 GPR3 (0.42) HTR2CHTR2AHTR2BGPR3PBRM1
SCHEMBL8984564 0.75 CA12 (0.36) GPR3PBRM1TNKS2EDNRBEDNRA
SCHEMBL218508 0.73 TRPA1 (0.52) NUDT1TRPA1ATM
SCHEMBL30834716 0.73 TRPA1 (0.52) NUDT1TRPA1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0611366-A1 CHLORINATION PROCESS, ALKYLATION OF PRODUCTS OF SAID PROCESS AND SOME PRODUCTS THEREOF THE DOW CHEMICAL COMPANY (US) 1994-08-24 EP disclosed
WO-1993009074-A2 CHLORINATION PROCESS, ALKYLATION OF PRODUCTS OF SAID PROCESS AND SOME PRODUCTS THEREOF THE DOW CHEMICAL COMPANY (US) 1993-05-13 WO disclosed