SCHEMBL6546753

SCHEMBL6546753

CCCc1ccc(C=CCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
LTA4H P09960 1/20 0.41
KCNA3 P22001 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ARG2 P78540 1/20 0.39
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
KCNH2 Q12809 2/20 0.39
TNNC1 P63316 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MITF O75030 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KLF5 Q13887 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR2 P34972 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL6547497 0.95 MAOB (0.45) MAOBKDM4EALDH1A1
SCHEMBL6546523 0.85 TP53 (0.54) MAOBLTA4HKCNA3CA1CA2
SCHEMBL7536066 0.83 RELA (0.52) MAOBKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6546309 0.83 RELA (0.52) MAOBKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL163963 0.80 MAOB (0.67) MAOBLTA4HCA1CA2ARG2
SCHEMBL4256257 0.80 MAOB (0.67) MAOBLTA4HCA1CA2ARG2
SCHEMBL1892917 0.80 MAOB (0.67) MAOBLTA4HCA1CA2ARG2
SCHEMBL6546781 0.79 TP53 (0.50) MAOBKDM4EALDH1A1RELA
SCHEMBL3847305 0.79 MAOB (0.54) MAOBLTA4HCA1CA2ARG2
SCHEMBL27497964 0.79 LTA4H (0.45) MAOBLTA4HRELA

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