SCHEMBL6546901

SCHEMBL6546901

CCc1ccc(C=C(C)c2ccc(C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
PTGS2 P35354 6/20 0.42
PTGS1 P23219 6/20 0.42
NQO2 P16083 3/20 0.42
AKR1C3 P42330 1/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX5 P09917 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
PLK1 P53350 1/20 0.38

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
SCHEMBL6546989 1.00 ESR1 (0.53) ESR1ESR2PTGS2PTGS1NQO2
SCHEMBL6546605 0.87 ESR1 (0.68) ESR1ESR2PTGS2PTGS1NQO2
SCHEMBL18790028 0.87 ESR1 (0.68) ESR1ESR2PTGS2PTGS1NQO2
SCHEMBL6546119 0.84 ESR1 (0.50) ESR1ESR2PTGS2PTGS1NQO2
SCHEMBL6546875 0.84 ESR1 (0.50) ESR1ESR2PTGS2PTGS1NQO2
SCHEMBL14526524 0.80 ESR1 (0.55) ESR1ESR2PTGS2PTGS1NQO2
SCHEMBL14526513 0.80 ESR1 (0.55) ESR1ESR2PTGS2PTGS1NQO2
SCHEMBL8732752 0.78 ESR1 (0.57) ESR1ESR2PTGS2PTGS1NQO2
SCHEMBL8732745 0.78 ESR1 (0.57) ESR1ESR2PTGS2PTGS1NQO2
SCHEMBL6547576 0.77 ESR1 (0.55) ESR1ESR2PTGS2PTGS1NQO2

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