SCHEMBL8894472

SCHEMBL8894472

CCCCCCCCCCCCSCC(C)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.46
CES2 O00748 3/20 0.46
MAPT P10636 2/20 0.46
GMNN O75496 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
CYP2C9 P11712 1/20 0.46
BLM P54132 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PRKD3 O94806 3/20 0.45
PRKCG P05129 3/20 0.45
PRKCB P05771 3/20 0.45
PRKCA P17252 3/20 0.45
PRKCH P24723 3/20 0.45
PRKCI P41743 3/20 0.45
PRKCE Q02156 3/20 0.45
PRKCQ Q04759 3/20 0.45
PRKCZ Q05513 3/20 0.45
PRKCD Q05655 3/20 0.45

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
SCHEMBL11082642 1.00 ZDHHC7 (0.46) ZDHHC7CES2MAPTGMNNTP53
SCHEMBL11081059 1.00 ZDHHC7 (0.46) ZDHHC7CES2MAPTGMNNTP53
SCHEMBL10633507 1.00 ZDHHC7 (0.46) ZDHHC7CES2MAPTGMNNTP53
SCHEMBL9014430 0.98 ZDHHC7 (0.43) ZDHHC7CES2MAPTGMNNTP53
SCHEMBL12769059 0.93 CA1 (0.43) ZDHHC7CES2MAPTGMNNTP53
SCHEMBL31135395 0.86 CES2 (0.46) CES2MAPTGMNNTP53POLB
SCHEMBL9074385 0.82 CES2 (0.42) CES2MAPTGMNNTP53POLB
SCHEMBL10609985 0.82 CES2 (0.42) CES2MAPTGMNNTP53POLB
SCHEMBL28832815 0.81 FOLH1 (0.33) HSD17B10CA1CA2
SCHEMBL11089311 0.80 MAPT (0.55) CES2MAPTGMNNTP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5696282-A CATALYTIC REACTION OF A HYDROGEN SULFIDE OR MERCAPTAN WITH UNSATURATED CARBONYL OR CYANO COMPOUND PHILLIPS PETROLEUM COMPANY (US) 1997-12-09 US claimed
US-5696282-A CATALYTIC REACTION OF A HYDROGEN SULFIDE OR MERCAPTAN WITH UNSATURATED CARBONYL OR CYANO COMPOUND PHILLIPS PETROLEUM COMPANY (US) 1997-12-09 US disclosed