SCHEMBL6546728

SCHEMBL6546728

Cc1cccc(C(C)Cc2ccccc2)c1C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.48
TAAR1 Q96RJ0 5/20 0.48
SLC6A2 P23975 2/20 0.48
MAOA P21397 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
SLC18A2 Q05940 1/20 0.46
SCN4A P35499 1/20 0.42
CYP2D6 P10635 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TRPA1 O75762 1/20 0.40

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
SCHEMBL10633863 0.86 SIGMAR1 (0.50) SIGMAR1TAAR1SLC6A2MAOASLC6A4
Ammonia Solution, Strong SCHEMBL5299921 0.85 SIGMAR1 (0.48) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL6547126 0.82 ALOX12 (0.48) TAAR1MEN1KMT2A
SCHEMBL6546229 0.81 ADRA2A (0.39) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL6546628 0.81 TAAR1 (0.44) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL11208110 0.81 PDCD1 (0.46) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL15958673 0.80 P2RX7 (0.44) SLC6A2CYP2D6
SCHEMBL8996448 0.79 NR3C1 (0.41) SLC6A2SCN4ACYP2D6TRPA1
Diphenylmethane SCHEMBL10899653 0.79 CALM1 (0.46) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL6547009 0.76 SIGMAR1 (0.52) SIGMAR1TAAR1SLC6A2MAOASLC6A4

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