SCHEMBL6547609

SCHEMBL6547609

CCCCc1ccc(C(C)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.60
HSD11B1 P28845 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
OPRL1 P41146 1/20 0.47
KCNH2 Q12809 2/20 0.46
SIGMAR1 Q99720 2/20 0.45
TRPV1 Q8NER1 1/20 0.45
CA2 P00918 2/20 0.44
CA1 P00915 1/20 0.44
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD1 P21728 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRM1 P35372 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
SCHEMBL5200395 0.93 HTR2A (0.71) HTR2AHSD11B1ALDH1A1HSD17B10KCNH2
SCHEMBL11767109 0.93 HTR2A (0.71) HTR2AHSD11B1ALDH1A1HSD17B10KCNH2
SCHEMBL9621454 0.92 CA2 (0.50) HTR2AALDH1A1HPGDHSD17B10CA2
SCHEMBL6546083 0.88 HTR2A (0.50) HTR2AALDH1A1HPGDOPRL1KCNH2
SCHEMBL28900121 0.86 RARB (0.53) HTR2AHSD11B1ALDH1A1HPGDHSD17B10
SCHEMBL27497386 0.83 HTR2A (0.48) HTR2AALDH1A1HPGDHSD17B10CA2
Butylbenzyl SCHEMBL8519397 0.82 HTR2A (0.53) HTR2AHSD11B1OPRL1KCNH2SIGMAR1
SCHEMBL11415015 0.80 TSHR (0.47) HTR2AALDH1A1HPGDHSD17B10TRPV1
SCHEMBL8090819 0.79 UCHL3 (0.56) HTR2AALDH1A1HPGDHSD17B10CA2
SCHEMBL444227 0.79 TP53 (0.56) HTR2AALDH1A1OPRL1OPRM1SMN1; SMN2

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