SCHEMBL6548345

SCHEMBL6548345

Cc1ccc(CCC(C)c2ccccc2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.43
TAAR1 Q96RJ0 3/20 0.40
HTT P42858 3/20 0.39
LMNA P02545 3/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX12 P18054 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRPA1 O75762 1/20 0.38
NR3C1 P04150 1/20 0.38
TACR1 P25103 1/20 0.38
ESR1 P03372 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 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
SCHEMBL6546939 0.83 PSMB5 (0.44) TAAR1HTTLMNARAB9ASMN1; SMN2
SCHEMBL6546634 0.82 RIPK1 (0.48) RIPK1TAAR1LMNATRPA1SLC6A4
SCHEMBL10969479 0.80 CYP19A1 (0.47) HTTLMNARAB9ASMN1; SMN2NPC1
SCHEMBL6547043 0.75 RIPK1 (0.48) RIPK1TAAR1HTTTRPA1SLC6A4
SCHEMBL6546640 0.75 ALDH1A1 (0.50) RIPK1TAAR1SMN1; SMN2ALDH1A1TDP1
SCHEMBL5598484 0.75 SMN1; SMN2 (0.46) HTTLMNARAB9ASMN1; SMN2NPC1
SCHEMBL31498230 0.75 TYR (0.53) TAAR1RAB9ANPC1ALDH1A1TDP1
SCHEMBL113499 0.75 TYR (0.53) TAAR1RAB9ANPC1ALDH1A1TDP1
SCHEMBL6548342 0.75 RIPK1 (0.44) RIPK1TAAR1TRPA1AOC3
SCHEMBL8076469 0.74 KDM4E (0.38) TAAR1HTTLMNARAB9ASMN1; SMN2

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