SCHEMBL6547352

SCHEMBL6547352

CCCCC(c1ccccc1)c1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.52
HTR2A P28223 6/20 0.50
HRH1 P35367 6/20 0.50
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
CYP19A1 P11511 2/20 0.47
CASR P41180 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL11436698 0.94 SIGMAR1 (0.55) SIGMAR1HTR2AHRH1CNR1CNR2
SCHEMBL5271969 0.92 SIGMAR1 (0.53) SIGMAR1HTR2AHRH1CNR1CNR2
SCHEMBL1293020 0.89 SIGMAR1 (0.61) SIGMAR1HTR2AHRH1CASRPOLB
SCHEMBL6546820 0.88 CNR1 (0.51) SIGMAR1HTR2AHRH1CNR1CNR2
SCHEMBL11705344 0.88 CYP19A1 (0.47) SIGMAR1HTR2AHRH1CNR1CNR2
SCHEMBL11702818 0.86 CYP19A1 (0.46) SIGMAR1HTR2AHRH1CNR1CNR2
SCHEMBL11705969 0.86 CYP19A1 (0.46) SIGMAR1HTR2AHRH1CNR1CNR2
SCHEMBL11702009 0.86 CYP19A1 (0.46) SIGMAR1HTR2AHRH1CNR1CNR2
SCHEMBL11705153 0.86 CYP19A1 (0.46) SIGMAR1HTR2AHRH1CNR1CNR2
SCHEMBL11706831 0.86 CYP19A1 (0.46) SIGMAR1HTR2AHRH1CNR1CNR2

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