SCHEMBL9866039

SCHEMBL9866039

CC(C)(C)ON(C=O)CCCCC(=O)Nc1ccc(OCc2ccccc2)c(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.46
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
FOLH1 Q04609 1/20 0.41
HDAC2 Q92769 6/20 0.41
HDAC8 Q9BY41 5/20 0.41
HDAC6 Q9UBN7 4/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CTSV O60911 1/20 0.41

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
SCHEMBL9865970 0.83 KDM4C (0.50) HDAC2HDAC8HDAC6HDAC1HDAC3
SCHEMBL9866777 0.81 ALDH1A1 (0.47) NPC1RAB9AHDAC2HDAC8HDAC6
SCHEMBL9866032 0.79 CA1 (0.50) LTA4HNPC1RAB9AFOLH1HDAC2
SCHEMBL9866706 0.78 SMN1; SMN2 (0.53) NPC1RAB9AHDAC2HDAC8HDAC6
SCHEMBL9335792 0.76 LTA4H (0.46) LTA4HNPC1RAB9AHDAC2HDAC8
SCHEMBL9865227 0.74 FOLH1 (0.51) FOLH1KDM4EALDH1A1POLBL3MBTL1
SCHEMBL9865221 0.74 FOLH1 (0.53) NPC1RAB9AFOLH1KDM4EALDH1A1
SCHEMBL9866212 0.72 KMT2A (0.39) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9866202 0.71 SMN1; SMN2 (0.55) NPC1RAB9AHDAC2HDAC8HDAC6
SCHEMBL9865073 0.71 SMN1; SMN2 (0.54) NPC1RAB9AHDAC2HDAC8HDAC6

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-5039805-A Novel benzoic and phenylacetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1991-08-13 US disclosed