SCHEMBL6546371

SCHEMBL6546371

CCCc1ccccc1C=C(C)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.36
CREBBP Q92793 2/20 0.36
KDM1A O60341 1/20 0.34
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
CYP1A2 P05177 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP2D6 P10635 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
DAO P14920 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL6547041 1.00 BRD4 (0.36) BRD4CREBBPKDM1ALMNAMAPT
SCHEMBL23569554 0.86 LMNA (0.41) BRD4CREBBPKDM1ALMNAMAPT
SCHEMBL6546116 0.86 LMNA (0.41) BRD4CREBBPKDM1ALMNAMAPT
SCHEMBL6546113 0.86 LMNA (0.41) BRD4CREBBPKDM1ALMNAMAPT
SCHEMBL16857588 0.80 GABRA1 (0.39) BRD4CREBBPLMNAMAPTHTT
SCHEMBL5071086 0.79 MCL1 (0.33) PPARGPPARAPTGS2
SCHEMBL5863276 0.78 AKR1C3 (0.50) HTTCYP2C9PPARGPPARA
SCHEMBL5863271 0.78 AKR1C3 (0.50) HTTCYP2C9PPARGPPARA
SCHEMBL6547045 0.77 LMNA (0.40) BRD4CREBBPLMNAMAPTHTT
SCHEMBL28329262 0.76 ALDH1A1 (0.47) LMNAPPARGPPARADAO

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