SCHEMBL6548102

SCHEMBL6548102

Cc1c(Cc2ccccc2)cccc1CC(C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
TAAR1 Q96RJ0 4/20 0.44
SLC6A2 P23975 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
MAOA P21397 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CYP2A6 P11509 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
CNR2 P34972 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
SLC18A2 Q05940 1/20 0.41
HTR2A P28223 1/20 0.40
CALM1 P0DP23 1/20 0.39
BCL2 P10415 1/20 0.38
BCL2L1 Q07817 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
SCHEMBL7861886 0.86 CALM1 (0.52) L3MBTL1CNR2GPR55HTR2ACALM1
SCHEMBL6546971 0.84 HTR2A (0.50) GABRA1GABRB2TAAR1SLC6A2SIGMAR1
SCHEMBL22781148 0.84 GABRA1 (0.62) GABRA1GABRB2TAAR1SLC6A2SIGMAR1
SCHEMBL6546124 0.79 TP53 (0.46) GABRA1GABRB2L3MBTL1CNR2GPR55
SCHEMBL1276090 0.78 CALM1 (0.48) CNR2GPR55HTR2ACALM1BCL2
SCHEMBL11677650 0.78 GABRA1 (0.56) GABRA1GABRB2TAAR1MAOA
SCHEMBL27313616 0.77 PDCD1 (0.58) L3MBTL1CNR2GPR55HTR2ACALM1
SCHEMBL28829955 0.76 GABRA1 (0.54) GABRA1GABRB2
Ammonia Solution, Strong SCHEMBL27502158 0.76 CALM1 (0.46) CNR2GPR55HTR2ACALM1BCL2
SCHEMBL21622462 0.76 SLC7A5 (0.42) TAAR1SLC6A2SIGMAR1MAOASLC6A4

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