SCHEMBL11274669

SCHEMBL11274669

COC(=O)C/C=C/C=C/c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
PAM P19021 1/20 0.49
MAOB P27338 3/20 0.47
GLA P06280 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 4/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 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
SCHEMBL11274670 1.00 CYP4F2 (0.51) CYP4F2CYP4A11HDAC3HDAC4HDAC1
SCHEMBL2877454 0.88 CYP4F2 (0.64) CYP4F2CYP4A11HDAC3HDAC4HDAC1
SCHEMBL2877458 0.88 CYP4F2 (0.64) CYP4F2CYP4A11HDAC3HDAC4HDAC1
Hydrazine SCHEMBL30778291 0.85 CYP4F2 (0.60) CYP4F2CYP4A11PAMMAOBALDH1A1
Nitrogen SCHEMBL29159384 0.85 CYP4F2 (0.60) CYP4F2CYP4A11HDAC3HDAC4HDAC1
SCHEMBL13908714 0.85 CYP4F2 (0.65) CYP4F2CYP4A11HDAC1PAMMAOB
SCHEMBL6746074 0.81 TDP1 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6746075 0.81 TDP1 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13908762 0.81 CYP4F2 (0.60) CYP4F2CYP4A11HDAC1HDAC2HDAC6
SCHEMBL3360904 0.80 PAM (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2

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-4335054-A Process for the preparation of alkenylbenzenecarboxylic acid derivatives and alkenylnaphthalenecarboxylic acid derivatives CIBA-GEIGY CORPORATION (US) 1982-06-15 US disclosed