SCHEMBL6546875

SCHEMBL6546875

CCc1ccc(C(C)=Cc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.50
ESR2 Q92731 1/20 0.50
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.46
AKR1C3 P42330 2/20 0.43
NQO2 P16083 2/20 0.42
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RECQL P46063 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
NISCH Q9Y2I1 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
SCHEMBL6546119 0.93 ESR1 (0.50) ESR1ESR2ALDH1A1TP53AKR1C3
SCHEMBL7803180 0.86 ESR1 (0.64) ESR1ESR2ALDH1A1AKR1C3NQO2
SCHEMBL6546477 0.86 ESR1 (0.47) ESR1ESR2ALDH1A1AKR1C3NQO2
SCHEMBL9806248 0.85 LMNA (0.56) ESR1ESR2ALDH1A1AKR1C3NQO2
SCHEMBL9806250 0.85 LMNA (0.56) ESR1ESR2ALDH1A1AKR1C3NQO2
SCHEMBL6546901 0.84 ESR1 (0.53) ESR1ESR2ALDH1A1AKR1C3NQO2
SCHEMBL6546989 0.84 ESR1 (0.53) ESR1ESR2ALDH1A1AKR1C3NQO2
SCHEMBL1225178 0.82 ESR1 (0.58) ESR1ESR2ALDH1A1AKR1C3NQO2
SCHEMBL726320 0.82 ESR1 (0.58) ESR1ESR2ALDH1A1AKR1C3NQO2
SCHEMBL726321 0.82 ESR1 (0.58) ESR1ESR2ALDH1A1AKR1C3NQO2

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