SCHEMBL6546768

SCHEMBL6546768

C/C(=C\c1cccc(C)c1)c1cccc(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.44
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 2/20 0.37
PKM P14618 1/20 0.37
RELA Q04206 1/20 0.36
FBP1 P09467 1/20 0.36
ACHE P22303 2/20 0.35
TRPA1 O75762 1/20 0.34

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
SCHEMBL6546330 0.84 ALDH1A1 (0.41) PTGS1PTGS2TDP1KDM4EALDH1A1
SCHEMBL6546772 0.81 NFE2L2 (0.46) PTGS1ALOX5PTGS2TP53TDP1
SCHEMBL6547236 0.76 KDM4E (0.42) PTGS1ALOX5PTGS2TP53TDP1
SCHEMBL27876074 0.74 TRPA1 (0.44) PTGS1PTGS2TP53TDP1NPC1
SCHEMBL30268861 0.74 TP53 (0.56) PTGS1ALOX5PTGS2TP53TDP1
SCHEMBL23969500 0.74 TRPA1 (0.44) PTGS1PTGS2TP53TDP1NPC1
SCHEMBL27567537 0.74 TP53 (0.56) PTGS1ALOX5PTGS2TP53TDP1
SCHEMBL6546795 0.74 TP53 (0.47) PTGS1ALOX5PTGS2TP53TDP1
SCHEMBL28813024 0.71 TP53 (0.52) PTGS1ALOX5PTGS2TP53TDP1
SCHEMBL13891045 0.71 TP53 (0.52) PTGS1ALOX5PTGS2TP53TDP1

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