SCHEMBL6546453

SCHEMBL6546453

CCCc1ccc(Cc2ccc(C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
CYP2A6 P11509 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
LPL P06858 1/20 0.46
LIPG Q9Y5X9 1/20 0.46
PLK1 P53350 1/20 0.45
CNR2 P34972 2/20 0.45
HTR1D P28221 1/20 0.44
IDO1 P14902 1/20 0.44
SRD5A2 P31213 1/20 0.44
CA2 P00918 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
KCNH2 Q12809 1/20 0.42
MGLL Q99685 1/20 0.41
IGF1R P08069 1/20 0.41
ALOX15 P16050 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
ACHE P22303 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CNR1 P21554 1/20 0.40

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
SCHEMBL5493944 0.92 CYP1A2 (0.59) CYP1A2CYP2A6TAAR1LPLLIPG
SCHEMBL326914 0.92 CYP1A2 (0.59) CYP1A2CYP2A6TAAR1LPLLIPG
Hydrogen Sulfide SCHEMBL28268146 0.90 CYP1A2 (0.56) CYP1A2CYP2A6TAAR1LPLLIPG
SCHEMBL28572624 0.90 CYP1A2 (0.56) CYP1A2CYP2A6TAAR1LPLLIPG
SCHEMBL27348511 0.90 CYP1A2 (0.56) CYP1A2CYP2A6TAAR1LPLLIPG
SCHEMBL6546987 0.90 CYP1A2 (0.56) CYP1A2CYP2A6TAAR1LPLLIPG
SCHEMBL30057561 0.90 CYP1A2 (0.56) CYP1A2CYP2A6TAAR1LPLLIPG
Hydrochloric Acid SCHEMBL7988640 0.90 CYP1A2 (0.56) CYP1A2CYP2A6TAAR1LPLLIPG
SCHEMBL28182287 0.90 CYP1A2 (0.56) CYP1A2CYP2A6TAAR1LPLLIPG
SCHEMBL2494578 0.89 LPL (0.54) TAAR1LPLLIPGPLK1CNR2

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