SCHEMBL6547012

SCHEMBL6547012

CC(C)c1ccc(C(C)Cc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
TAAR1 Q96RJ0 6/20 0.50
SIGMAR1 Q99720 5/20 0.50
SLC6A2 P23975 2/20 0.50
MAOA P21397 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CYP2A6 P11509 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
SLC18A2 Q05940 1/20 0.47
CYP2D6 P10635 1/20 0.47
CNR2 P34972 1/20 0.46
TRPA1 O75762 1/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL6545668 0.94 ESR1 (0.59) ESR1ESR2TAAR1SIGMAR1SLC6A2
SCHEMBL14799062 0.89 TAAR1 (0.56) ESR1ESR2TAAR1SIGMAR1SLC6A2
SCHEMBL535702 0.89 TAAR1 (0.56) ESR1ESR2TAAR1SIGMAR1SLC6A2
SCHEMBL8983689 0.89 TAAR1 (0.56) ESR1ESR2TAAR1SIGMAR1SLC6A2
SCHEMBL29758290 0.88 ESR1 (0.52) ESR1ESR2TAAR1SIGMAR1SLC6A2
SCHEMBL8583523 0.88 TAAR1 (0.52) ESR1ESR2TAAR1SIGMAR1SLC6A2
Ammonia Solution, Strong SCHEMBL5082413 0.86 TAAR1 (0.54) ESR1ESR2TAAR1SIGMAR1SLC6A2
Ammonia Solution, Strong SCHEMBL5305670 0.86 ESR1 (0.50) ESR1ESR2TAAR1SIGMAR1SLC6A2
SCHEMBL5313594 0.85 ESR1 (0.53) ESR1ESR2TAAR1SIGMAR1SLC6A2
Hydrochloric Acid SCHEMBL7266799 0.84 TAAR1 (0.52) ESR1ESR2TAAR1SIGMAR1SLC6A2

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