SCHEMBL6547448

SCHEMBL6547448

CCC(C)c1ccc(C=Cc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 2/20 0.48
CYP2C9 P11712 2/20 0.46
NPC1 O15118 1/20 0.45
MTOR P42345 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTR2A P28223 3/20 0.44
TRPA1 O75762 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA7 P36544 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GMNN O75496 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
PMP22 Q01453 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL14570387 0.88 RELA (0.46) RELACYP2C9NPC1MTORCYP3A4
SCHEMBL25693898 0.87 ALDH1A1 (0.47) CYP2C9MAPK1KDM4EHPGDSMN1; SMN2
SCHEMBL13475128 0.87 RELA (0.46) RELACYP2C9NPC1MAPK1KDM4E
SCHEMBL12292333 0.82 CYP2C9 (0.49) RELACYP2C9NPC1HSD17B10HPGD
SCHEMBL14570389 0.82 TRPM8 (0.45) RELACYP2C9CYP3A4CYP2C19HPGD
SCHEMBL11520177 0.82 CYP2C9 (0.47) CYP2C9TP53CYP3A4MAPK1HSD17B10
SCHEMBL12292332 0.81 RELA (0.40) RELACYP2C9NPC1
SCHEMBL136376 0.80 TAAR1 (0.61) TRPA1LMNA
SCHEMBL4443642 0.80 TAAR1 (0.61) TRPA1LMNA
SCHEMBL17453236 0.80 TAAR1 (0.61) TRPA1LMNA

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
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
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
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