SCHEMBL6547299

SCHEMBL6547299

C=C(Cc1ccccc1CCC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.40
MAOB P27338 6/20 0.40
PPARG P37231 4/20 0.38
PPARA Q07869 4/20 0.38
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL6546362 0.85 MAOA (0.42) MAOAMAOBCES2CES1ATM
SCHEMBL13679441 0.82 PPARG (0.38) PPARGPPARA
Hydrogen Peroxide SCHEMBL29092952 0.79 LIPG (0.45) PPARGPPARA
SCHEMBL6547309 0.78 THRB (0.43) MAOAMAOB
SCHEMBL28455439 0.78 SMN1; SMN2 (0.47) PPARGPPARACES2CES1
SCHEMBL28804356 0.77 HPGD (0.47) MAOAMAOB
Benzene SCHEMBL11786397 0.77 KDM4E (0.44) PPARGPPARA
SCHEMBL9346841 0.76 PPARA (0.40) PPARGPPARACES2CES1ATM
SCHEMBL5863279 0.76 PPARA (0.40) PPARGPPARA
SCHEMBL6546074 0.76 ALDH1A1 (0.40) MAOAMAOBATM

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