SCHEMBL6546227

SCHEMBL6546227

CCCCc1ccccc1Cc1ccccc1C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.45
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
LIPG Q9Y5X9 1/20 0.43
GPR55 Q9Y2T6 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CHRM2 P08172 1/20 0.39
HTR2A P28223 1/20 0.38
KMT2A Q03164 1/20 0.38
TLR8 Q9NR97 3/20 0.38
TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL8094664 0.94 LIPG (0.50) TAAR1CNR1CNR2LIPGGPR55
SCHEMBL8099212 0.92 HTR2A (0.44) TAAR1CNR1CNR2LIPGGPR55
SCHEMBL8100459 0.92 LIPG (0.53) TAAR1CNR1CNR2LIPGGPR55
SCHEMBL8094044 0.92 LIPG (0.53) TAAR1CNR1CNR2LIPGGPR55
SCHEMBL8101502 0.92 LIPG (0.53) TAAR1CNR1CNR2LIPGGPR55
SCHEMBL5430739 0.89 LIPG (0.50) LIPGCYP3A4CYP2D6CYP2C9HTR2A
SCHEMBL6546756 0.88 TAAR1 (0.48) TAAR1CNR1CNR2GPR55CHRM2
SCHEMBL475603 0.87 TAAR1 (0.58) TAAR1LIPGCYP3A4CYP2D6CYP2C9
SCHEMBL29981544 0.87 TAAR1 (0.58) TAAR1LIPGCYP3A4CYP2D6CYP2C9
SCHEMBL5499255 0.87 TAAR1 (0.58) TAAR1LIPGCYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0717098-B1 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON MITSUBISHI OIL CORP (JP) 2004-01-21 EP disclosed
EP-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP disclosed
US-5817251-A AROMATIC HYDROCARBON LUBRICANT NIPPON OIL CO., LTD. (JP) 1998-10-06 US disclosed
US-5711895-A Fluid composition for use in a refrigerating machine in which the refrigerating machine oil is at least one hydrocarbon compound of a formula consisting of two phenyl groups joined through an alkylene or alkenylene group NIPPON OIL CO., LTD. (JP) 1998-01-27 US disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed
EP-0717098-A2 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON OIL CO. LTD. (JP) 1996-06-19 EP disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 EP disclosed