SCHEMBL6546378

SCHEMBL6546378

CCc1cccc(Cc2ccccc2)c1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
LDHA P00338 1/20 0.43
LDHB P07195 1/20 0.43
TP53 P04637 1/20 0.41
HTR2A P28223 1/20 0.40
DAO P14920 1/20 0.40
IDH1 O75874 1/20 0.40
SLC6A2 P23975 2/20 0.39
TAAR1 Q96RJ0 2/20 0.39
MAOA P21397 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CYP2A6 P11509 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
CALM1 P0DP23 1/20 0.39
CNR2 P34972 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
BCL2 P10415 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
SCHEMBL9734348 0.84 GABRA1 (0.50) L3MBTL1DAO
SCHEMBL6547623 0.83 LDHA (0.48) L3MBTL1LDHALDHBHTR2ASLC6A2
Bicarbonate SCHEMBL27539067 0.80 LDHA (0.49) L3MBTL1LDHALDHBCNR2GPR55
SCHEMBL6548117 0.78 HTR2A (0.56) L3MBTL1TP53HTR2ACALM1BCL2
SCHEMBL11205678 0.76 HTR2A (0.54) L3MBTL1TP53HTR2ACALM1BCL2
SCHEMBL10601277 0.75 TP53 (0.46) L3MBTL1TP53HTR2ADAOTAAR1
SCHEMBL20713445 0.75 GABRA1 (0.41) L3MBTL1HTR2ADAO
SCHEMBL6546124 0.75 TP53 (0.46) L3MBTL1TP53HTR2ACALM1CNR2
SCHEMBL6546008 0.75 TP53 (0.46) L3MBTL1TP53HTR2ATAAR1CALM1
SCHEMBL10360593 0.74 PDCD1 (0.46)

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