SCHEMBL6546477

SCHEMBL6546477

CCCc1ccc(C(C)=Cc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
THRB P10828 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PLK1 P53350 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
POLB P06746 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
NQO2 P16083 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
TSHR P16473 1/20 0.39
AKR1C3 P42330 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
SCHEMBL6546373 0.93 ESR1 (0.47) ESR1ESR2THRBL3MBTL1PLK1
SCHEMBL8732752 0.91 ESR1 (0.57) ESR1ESR2THRBL3MBTL1PLK1
SCHEMBL8732745 0.91 ESR1 (0.57) ESR1ESR2THRBL3MBTL1PLK1
SCHEMBL6546875 0.86 ESR1 (0.50) ESR1ESR2NPC1RAB9AALDH1A1
SCHEMBL8729056 0.85 ESR1 (0.50) ESR1ESR2THRBPLK1ALDH1A1
SCHEMBL8732968 0.85 ESR1 (0.50) ESR1ESR2THRBPLK1ALDH1A1
SCHEMBL8732972 0.85 ESR1 (0.50) ESR1ESR2THRBPLK1ALDH1A1
SCHEMBL8729054 0.85 ESR1 (0.50) ESR1ESR2THRBPLK1ALDH1A1
SCHEMBL8734382 0.83 PTGS2 (0.50) ESR1ESR2THRBL3MBTL1PLK1
SCHEMBL8734383 0.83 PTGS2 (0.50) ESR1ESR2THRBL3MBTL1PLK1

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