SCHEMBL6547495

SCHEMBL6547495

CCC(C)c1cccc(Cc2ccccc2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
CNR2 P34972 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 1/20 0.39
HTR2A P28223 1/20 0.37
SLC6A2 P23975 2/20 0.36
TAAR1 Q96RJ0 2/20 0.36
MAOA P21397 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CYP2A6 P11509 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CALM1 P0DP23 1/20 0.35
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
BCL2 P10415 1/20 0.35
BCL2L1 Q07817 1/20 0.35

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
SCHEMBL5664115 0.86 TSHR (0.52) TSHRL3MBTL1ATMHTR2ATAAR1
SCHEMBL4658390 0.81 CNR2 (0.43) CNR2GPR55L3MBTL1HTR2ASLC6A2
SCHEMBL6547477 0.78 TSHR (0.47) TSHRL3MBTL1ATMHTR2ASLC6A4
SCHEMBL18745640 0.78 TSHR (0.58) TSHRL3MBTL1ATMSLC6A2
SCHEMBL7861886 0.78 CALM1 (0.52) TSHRCNR2GPR55L3MBTL1HTR2A
SCHEMBL6546628 0.77 TAAR1 (0.44) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL27391011 0.76 TSHR (0.52) TSHRATMHTR2ASLC6A2MAOA
SCHEMBL6546687 0.76 L3MBTL1 (0.47) CNR2GPR55L3MBTL1HTR2ASLC6A2
SCHEMBL14899397 0.75 TSHR (0.47) TSHRSLC6A2TRPA1
SCHEMBL6546124 0.74 TP53 (0.46) CNR2GPR55L3MBTL1HTR2ACALM1

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