SCHEMBL28065246

SCHEMBL28065246

C=C(CCCCCCCCC)C(=O)Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 7/20 0.48
HDAC4 P56524 7/20 0.48
HDAC1 Q13547 7/20 0.48
HDAC7 Q8WUI4 7/20 0.48
HDAC2 Q92769 7/20 0.48
HDAC10 Q969S8 7/20 0.48
HDAC11 Q96DB2 7/20 0.48
HDAC8 Q9BY41 7/20 0.48
HDAC6 Q9UBN7 7/20 0.48
HDAC9 Q9UKV0 7/20 0.48
HDAC5 Q9UQL6 7/20 0.48
POLB P06746 1/20 0.46
RARB P10826 3/20 0.46
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
FAAH O00519 6/20 0.43

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
SCHEMBL17097243 0.91 ZDHHC2 (0.48) CES2CES1FAAH
SCHEMBL29117697 0.91 ZDHHC2 (0.48) CES2CES1FAAH
SCHEMBL15995597 0.91 ZDHHC2 (0.48) CES2CES1FAAH
SCHEMBL27615688 0.91 ZDHHC2 (0.48) CES2CES1FAAH
SCHEMBL9303362 0.91 ZDHHC2 (0.48) CES2CES1FAAH
SCHEMBL5312753 0.91 ZDHHC2 (0.48) CES2CES1FAAH
SCHEMBL111781 0.91 ZDHHC2 (0.48) CES2CES1FAAH
SCHEMBL868456 0.91 ZDHHC2 (0.48) CES2CES1FAAH
SCHEMBL2401333 0.90 CES2 (0.46) CES2CES1FAAH
SCHEMBL26639827 0.85 PPARA (0.42) POLBCES2CES1FAAH

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
CN-103232175-B D1363BT radiation curable primary coating on optical fiber DSM IP ASSETS B.V. (NL) 2016-05-11 CN disclosed