SCHEMBL6546946

SCHEMBL6546946

Cc1ccc(CCC(C)(C)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KIF11 P52732 3/20 0.43
HRH1 P35367 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
KCNH2 Q12809 2/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
GPR52 Q9Y2T5 1/20 0.38

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
SCHEMBL8683336 0.92 NPC1 (0.44) TAAR1MEN1KMT2AKIF11TDP1
SCHEMBL3962014 0.88 TAAR1 (0.52) TAAR1KIF11TDP1CYP1A2CYP2A6
SCHEMBL19736084 0.79 CYP1A2 (0.37) TAAR1HRH1CYP1A2CYP2A6KCNH2
SCHEMBL21128486 0.78 SMN1; SMN2 (0.46) MEN1KMT2AKIF11LMNA
SCHEMBL3368788 0.76 TAAR1 (0.64) TAAR1KMT2AKIF11
SCHEMBL6286868 0.76 TAAR1 (0.48) TAAR1MEN1KMT2AL3MBTL1KCNH2
SCHEMBL12815449 0.76 TAAR1 (0.39) TAAR1TDP1CYP2A6DRD2DRD4
SCHEMBL846065 0.76 HSP90AA1 (0.41) TAAR1KMT2ATDP1GPR52
SCHEMBL9587633 0.76 CYP1A2 (0.44) TAAR1CYP1A2LMNAGPR52
SCHEMBL21076151 0.74 CYP1A2 (0.52) TAAR1MEN1KMT2AHRH1TDP1

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