SCHEMBL6546795

SCHEMBL6546795

CC(=Cc1cccc(C)c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PTGS1 P23219 5/20 0.46
NPC1 O15118 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
PTGS2 P35354 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALOX5 P09917 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NQO2 P16083 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL17109095 0.83 CYP19A1 (0.53) TP53TDP1PTGS1NPC1CASP3
SCHEMBL726321 0.82 ESR1 (0.58) PTGS1PTGS2ALDH1A1NQO2ESR1
SCHEMBL726320 0.82 ESR1 (0.58) PTGS1PTGS2ALDH1A1NQO2ESR1
SCHEMBL1225178 0.82 ESR1 (0.58) PTGS1PTGS2ALDH1A1NQO2ESR1
SCHEMBL25910341 0.81 PTGS1 (0.49) PTGS1NPC1PTGS2ALOX5NQO2
SCHEMBL6727057 0.80 AKR1C3 (0.47) PTGS1NPC1PTGS2SMN1; SMN2MEN1
SCHEMBL29293786 0.80 ALDH1A1 (0.54) TDP1PTGS1NPC1PTGS2SMN1; SMN2
SCHEMBL8762824 0.80 ALOX5 (0.46) TP53TDP1PTGS1NPC1CASP3
SCHEMBL4602278 0.79 MAPT (0.59) PTGS1NPC1PTGS2ALOX5MEN1
SCHEMBL6547576 0.79 ESR1 (0.55) PTGS1NPC1PTGS2MEN1KMT2A

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