SCHEMBL6546277

SCHEMBL6546277

CC(=CC(C)c1ccccc1)c1ccc(C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.51
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LTB4R Q15722 2/20 0.38
LTB4R2 Q9NPC1 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1B1 Q16678 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP2D6 P10635 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL6547527 0.93 TRPA1 (0.47) TRPA1CES2CES1LMNARAB9A
SCHEMBL6548210 0.89 TRPA1 (0.58) TRPA1LMNAMEN1KMT2ALTB4R
SCHEMBL6548208 0.89 TRPA1 (0.58) TRPA1LMNAMEN1KMT2ALTB4R
SCHEMBL9586455 0.77 TRPA1 (0.46) TRPA1LMNAMEN1KMT2AALDH1A1
SCHEMBL9586468 0.77 TRPA1 (0.46) TRPA1LMNAMEN1KMT2AALDH1A1
SCHEMBL9586459 0.77 TRPA1 (0.46) TRPA1LMNAMEN1KMT2AALDH1A1
SCHEMBL10433950 0.76 CES2 (0.42) CES2CES1LMNARAB9ANPC1
SCHEMBL28477621 0.75 LTB4R (0.44) CES2CES1LMNATP53RAB9A
SCHEMBL9222442 0.74 TRPA1 (0.64) TRPA1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL28293417 0.74 CYP19A1 (0.41) TRPA1RAB9ANPC1POLBMAPT

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