SCHEMBL6546357

SCHEMBL6546357

CCCc1ccccc1C(C)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.50
TAAR1 Q96RJ0 4/20 0.44
SLC18A2 Q05940 1/20 0.44
SLC6A2 P23975 2/20 0.42
MAOA P21397 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CYP2A6 P11509 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
LMNA P02545 1/20 0.41
PPARA Q07869 1/20 0.41
TRPA1 O75762 1/20 0.41

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
SCHEMBL6546197 0.85 SIGMAR1 (0.48) SIGMAR1TAAR1SLC18A2SLC6A2MAOA
SCHEMBL10599552 0.81 SIGMAR1 (0.52) SIGMAR1TAAR1SLC18A2SLC6A2MAOA
SCHEMBL19254463 0.81 TSHR (0.55)
Phenol SCHEMBL28085368 0.81 CYSLTR2 (0.49) SIGMAR1SLC6A2SLC6A4SLC6A3ADORA2A
SCHEMBL1954270 0.79 TSHR (0.50) TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL11200726 0.77 ADRA2A (0.44) SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL4843352 0.77 ADRA2A (0.46) SLC6A2LMNA
SCHEMBL9621039 0.77 ADRA2A (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL29429985 0.76 TSHR (0.50) SIGMAR1TRPA1
SCHEMBL5665152 0.76 TSHR (0.50) SIGMAR1TRPA1

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