SCHEMBL8764544

SCHEMBL8764544

CCCCCCCCCCCCCCCC=CC(=O)OCC(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
TSHR P16473 1/20 0.47
DGKA P23743 1/20 0.47
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
FAAH O00519 4/20 0.46
TRPV1 Q8NER1 1/20 0.46
HCAR2 Q8TDS4 1/20 0.45
GMNN O75496 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
APEX1 P27695 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 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
SCHEMBL15366239 1.00 MAPT (0.53) MAPTCNR1CNR2TSHRDGKA
SCHEMBL15366242 1.00 MAPT (0.53) MAPTCNR1CNR2TSHRDGKA
SCHEMBL1878843 0.93 MAPT (0.56) MAPTCNR1CNR2TSHRHCAR2
SCHEMBL9106059 0.90 MAPT (0.54) MAPTDGKAPPARGPPARAFAAH
SCHEMBL9111129 0.90 MAPT (0.54) MAPTDGKAPPARGPPARAFAAH
SCHEMBL31404911 0.89 CNR1 (0.58) MAPTCNR1CNR2DGKAPPARG
SCHEMBL31404901 0.87 CNR1 (0.57) MAPTCNR1CNR2TSHRDGKA
SCHEMBL7026430 0.87 CNR1 (0.57) MAPTCNR1CNR2TSHRDGKA
SCHEMBL10783818 0.85 TSHR (0.49) MAPTTSHRDGKAPPARGPPARA
SCHEMBL7029180 0.85 TSHR (0.49) MAPTTSHRDGKAPPARGPPARA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0621257-B1 Doubly branched compounds and methods of making them INST FRANCAIS DU PETROLE (FR) 1997-07-30 EP disclosed
US-5434282-A Alkylation INSTITUT FRANCAIS DU PETROLE (FR) 1995-07-18 US disclosed
EP-0621257-A1 Doubly branched compounds and methods of making them INSTITUT FRANCAIS DU PETROLE (FR) 1994-10-26 EP disclosed