SCHEMBL6548028

SCHEMBL6548028

CCc1ccc(CC=C(C)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TRPA1 O75762 1/20 0.37
KIF11 P52732 1/20 0.37
KDM1A O60341 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL6546922 0.95 TP53 (0.50) TP53ALDH1A1SMN1; SMN2
SCHEMBL437685 0.88 MAOB (0.46) KDM1A
SCHEMBL437686 0.88 MAOB (0.46) KDM1A
SCHEMBL437687 0.88 MAOB (0.46) KDM1A
SCHEMBL6548125 0.85 MEN1 (0.43) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL5918848 0.84 TRPA1 (0.56) ALDH1A1SMN1; SMN2KDM4ETRPA1PTGS2
SCHEMBL5918844 0.84 TRPA1 (0.56) ALDH1A1SMN1; SMN2KDM4ETRPA1PTGS2
SCHEMBL5918838 0.84 TRPA1 (0.56) ALDH1A1SMN1; SMN2KDM4ETRPA1PTGS2
SCHEMBL29626995 0.81 LMNA (0.56)
SCHEMBL6547171 0.78 GPR52 (0.44) ALDH1A1SMN1; SMN2NPC1RAB9A

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