SCHEMBL9840224

SCHEMBL9840224

CCCCc1cnc(-c2ccc(OC(=O)C(CCC)CCC)cc2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.53
MAPT P10636 7/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
THRB P10828 2/20 0.43
RAB9A P51151 8/20 0.43
NPC1 O15118 6/20 0.43
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 3/20 0.43
NFKB1 P19838 2/20 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
SCHEMBL9840788 0.96 RARB (0.58) RARBMAPTSMN1; SMN2HDAC3HDAC4
SCHEMBL9840775 0.95 RARB (0.60) RARBMAPTSMN1; SMN2HDAC3HDAC4
SCHEMBL9839540 0.95 RARB (0.60) RARBMAPTSMN1; SMN2HDAC3HDAC4
SCHEMBL9840801 0.95 RARB (0.60) RARBMAPTSMN1; SMN2HDAC3HDAC4
SCHEMBL9840634 0.95 RARB (0.60) RARBMAPTSMN1; SMN2HDAC3HDAC4
SCHEMBL9840561 0.95 RARB (0.51) RARBMAPTSMN1; SMN2HDAC3HDAC4
SCHEMBL9840520 0.93 MAPT (0.50) RARBMAPTSMN1; SMN2HDAC3HDAC4
SCHEMBL9840291 0.92 RARB (0.56) RARBMAPTSMN1; SMN2HDAC3HDAC4
SCHEMBL9839806 0.91 RARB (0.58) RARBMAPTSMN1; SMN2HDAC3HDAC4
SCHEMBL9840512 0.91 RARB (0.58) RARBMAPTSMN1; SMN2HDAC3HDAC4

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-0220297-B1 NITROGEN-CONTAINING HETEROCYCLES MERCK PATENT GmbH (DE) 1991-12-11 EP disclosed