SCHEMBL8984572

SCHEMBL8984572

Cc1ccccc1-c1cccc2c1C(c1ccccc1C)c1ccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.41
PBRM1 Q86U86 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
HTR2A P28223 2/20 0.36
HTR2C P28335 3/20 0.36
HTR2B P41595 2/20 0.36
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
MYC P01106 1/20 0.34
HTR7 P34969 3/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL17150269 0.90 GPR3 (0.42) GPR3PBRM1TNKS2HTR2AHTR2C
SCHEMBL8984564 0.84 CA12 (0.36) GPR3PBRM1TNKS2NPC1RAB9A
SCHEMBL1667065 0.84 HTR2A (0.41) GPR3PBRM1TNKS2HTR2AHTR2C
SCHEMBL29945705 0.83 GPR3 (0.50) GPR3PBRM1TNKS2HTR2AHTR2C
SCHEMBL8416742 0.83 GPR3 (0.50) GPR3PBRM1TNKS2HTR2AHTR2C
SCHEMBL29490167 0.83 HTR2A (0.48) GPR3HTR2AGAA
SCHEMBL1304934 0.83 HTR2A (0.48) GPR3HTR2AGAA
SCHEMBL11804054 0.82 PBRM1 (0.41) GPR3PBRM1TNKS2HTR2AHTR2C
SCHEMBL9348456 0.81 HTR2C (0.39) GPR3PBRM1TNKS2HTR2AHTR2C
SCHEMBL9395349 0.79 ESR2 (0.47) HTR2BGAAHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5387725-A Chlorinating compounds having acidic protons with a perchloro-alkane and aqueous base in the presence of a tetraalkyl-ammonium hydroxide phase transfer catalyst THE DOW CHEMICAL COMPANY (US) 1995-02-07 US claimed
US-5578737-A SUBSTITUTED FLUORENES, MONOMERS FOR HIGH PERFORMANCE POLYMERS THE DOW CHEMICAL COMPANY (US) 1996-11-26 US disclosed
US-5387725-A Chlorinating compounds having acidic protons with a perchloro-alkane and aqueous base in the presence of a tetraalkyl-ammonium hydroxide phase transfer catalyst THE DOW CHEMICAL COMPANY (US) 1995-02-07 US disclosed