SCHEMBL10693611

SCHEMBL10693611

CCCCCCCCCCCC(=O)OCC(=O)Nc1ccccc1CC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
CETP P11597 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
SOAT1 P35610 2/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
PAM P19021 2/20 0.48

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
SCHEMBL29195205 0.84 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21838310 0.82 SMN1; SMN2 (0.62) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL10694435 0.82 SMN1; SMN2 (0.62) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL10693670 0.81 EPHX2 (0.56) SOAT1
SCHEMBL10694565 0.79 SMN1; SMN2 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10694390 0.78 ALDH1A1 (0.61) LMNAMAPTL3MBTL1POLBRAB9A
SCHEMBL26645943 0.78 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25219320 0.76 CETP (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17938461 0.75 DGKA (0.56) LMNAMAPTL3MBTL1PAMALDH1A1
SCHEMBL17938493 0.75 DGKA (0.56) LMNAMAPTL3MBTL1PAMALDH1A1

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
EP-0098743-B1 PHENYL ALPHA-ACYLOXYACETAMIDE DERIVATES AND THEIR THERAPEUTIC USE Yu, Ruey J., Dr. (US) 1988-09-28 EP claimed