SCHEMBL6545940

SCHEMBL6545940

CCCCc1ccc(Cc2ccc(C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.50
CA1 P00915 1/20 0.50
PLK1 P53350 1/20 0.48
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2A6 P11509 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
CNR2 P34972 1/20 0.47
HTR1D P28221 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SKP2 Q13309 1/20 0.47
IGF1R P08069 1/20 0.47
ALOX15 P16050 1/20 0.47
ESR1 P03372 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47
SLC6A2 P23975 2/20 0.47

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
P-Xylene SCHEMBL9064447 0.93 CA2 (0.56) CA2CA1PLK1ALDH1A1HSD17B10
SCHEMBL168272 0.93 CA2 (0.56) CA2CA1PLK1ALDH1A1HSD17B10
Ammonia Solution, Strong SCHEMBL9428103 0.91 CA2 (0.54) CA2CA1PLK1ALDH1A1HSD17B10
SCHEMBL365821 0.91 CA2 (0.54) CA2CA1PLK1ALDH1A1HSD17B10
SCHEMBL2490238 0.91 CA2 (0.58) CA2CA1PLK1ALDH1A1HSD17B10
SCHEMBL2492800 0.86 RARB (0.58) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL6546453 0.86 CYP1A2 (0.52) CA2PLK1CYP1A2CYP2A6TAAR1
SCHEMBL392911 0.86 ESR1 (0.61) CA2ALDH1A1HSD17B10CYP1A2CYP2A6
SCHEMBL12669179 0.86 RARB (0.46) CA2CA1PLK1ALDH1A1HSD17B10
SCHEMBL168031 0.84 ESR1 (0.65) CA2ALDH1A1HSD17B10IGF1RALOX15

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