SCHEMBL6548210

SCHEMBL6548210

CC(=CC(C)c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.58
CYP3A4 P08684 2/20 0.39
ADRA2C P18825 2/20 0.39
CHRM2 P08172 1/20 0.39
ADRA1A P35348 1/20 0.39
RGS12 O14924 1/20 0.39
GLA P06280 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
NFKB1 P19838 1/20 0.39
HTR2A P28223 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 1/20 0.39
GNAI1 P63096 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM1A O60341 1/20 0.39

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
SCHEMBL6548208 1.00 TRPA1 (0.58) TRPA1CYP3A4ADRA2CCHRM2ADRA1A
SCHEMBL6546277 0.89 TRPA1 (0.51) TRPA1CYP2D6MEN1KMT2ALTB4R
SCHEMBL6547527 0.89 TRPA1 (0.47) TRPA1CYP3A4NFKB1KDM1AMEN1
SCHEMBL9586455 0.87 TRPA1 (0.46) TRPA1CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL9586459 0.87 TRPA1 (0.46) TRPA1CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL9586468 0.87 TRPA1 (0.46) TRPA1CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL9806392 0.81 TRPA1 (0.41) TRPA1CYP3A4ADRA2CCHRM2ADRA1A
SCHEMBL9806391 0.81 TRPA1 (0.55) TRPA1CYP3A4ADRA2CCHRM2ADRA1A
SCHEMBL28806587 0.81 TRPA1 (0.41) TRPA1CYP3A4ADRA2CCHRM2ADRA1A
SCHEMBL18683418 0.81 TRPA1 (0.44) TRPA1CYP3A4ADRA2CCHRM2ADRA1A

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