SCHEMBL6546797

SCHEMBL6546797

CCCCC(c1ccccc1)c1cccc(C)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.56
SIGMAR1 Q99720 1/20 0.47
HRH1 P35367 6/20 0.46
HTR2A P28223 5/20 0.46
KLKB1 P03952 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
ACP3 P15309 1/20 0.44
POLB P06746 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL29291019 0.91 CYP19A1 (0.52) CYP19A1SIGMAR1HRH1HTR2AKLKB1
SCHEMBL8860503 0.89 CYP19A1 (0.51) CYP19A1SIGMAR1HRH1HTR2AKLKB1
SCHEMBL8860487 0.89 CYP19A1 (0.51) CYP19A1SIGMAR1HRH1HTR2AKLKB1
SCHEMBL6546957 0.89 CYP19A1 (0.51) CYP19A1SIGMAR1HRH1HTR2ALMNA
SCHEMBL1293020 0.84 SIGMAR1 (0.61) SIGMAR1HRH1HTR2ALMNAALOX12
SCHEMBL6547352 0.83 SIGMAR1 (0.52) CYP19A1SIGMAR1HRH1HTR2APOLB
Butyl Alcohol SCHEMBL15348465 0.81 CYP19A1 (0.45) CYP19A1KLKB1LMNAMAPTALOX12
SCHEMBL3637064 0.81 ACP3 (0.49) CYP19A1HRH1HTR2ALMNAMAPT
SCHEMBL8120556 0.81 SIGMAR1 (0.46) CYP19A1SIGMAR1HRH1HTR2ALMNA
SCHEMBL30446841 0.81 HRH1 (0.48) CYP19A1SIGMAR1HRH1HTR2APOLB

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