SCHEMBL9718334

SCHEMBL9718334

CCCCCCC=C(OC)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.48
TSHR P16473 3/20 0.42
EPHX1 P07099 1/20 0.39
THRB P10828 1/20 0.38
FAAH O00519 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
TERT O14746 2/20 0.38
GMNN O75496 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
APEX1 P27695 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL4583581 1.00 EP300 (0.48) EP300TSHREPHX1THRBFAAH
SCHEMBL3933343 0.89 EP300 (0.44) EP300TSHREPHX1FAAHTRPV1
SCHEMBL7104760 0.84 EP300 (0.40) EP300TSHREPHX1TERTGMNN
SCHEMBL7104762 0.84 EP300 (0.40) EP300TSHREPHX1TERTGMNN
SCHEMBL22207072 0.79 EP300 (0.47) EP300TSHREPHX1THRBFAAH
SCHEMBL9066074 0.77 EP300 (0.45) EP300TSHREPHX1FAAH
SCHEMBL11461319 0.76 EP300 (0.43) EP300TSHREPHX1TRPV1
SCHEMBL11461320 0.76 EP300 (0.43) EP300TSHREPHX1TRPV1
SCHEMBL21049749 0.76 EP300 (0.43) EP300TSHRFAAHTRPV1TERT
SCHEMBL11467729 0.76 EP300 (0.44) EP300FAAHTERTGMNNUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5130435-A Elimination of alcohol from an acetal or ketal in the presence of phosphates BASF AKTIENGESELLSCHAFT (DE) 1992-07-14 US disclosed