SCHEMBL9865066

SCHEMBL9865066

O=C(CCCCCCCNC(=O)OCc1ccccc1)Nc1cccc(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
RAB9A P51151 2/20 0.52
TGM2 P21980 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
NPC1 O15118 1/20 0.50
HDAC3 O15379 5/20 0.49
HDAC4 P56524 5/20 0.49
HDAC1 Q13547 5/20 0.49
HDAC7 Q8WUI4 5/20 0.49
HDAC2 Q92769 5/20 0.49
HDAC10 Q969S8 5/20 0.49
HDAC11 Q96DB2 5/20 0.49
HDAC8 Q9BY41 5/20 0.49
HDAC6 Q9UBN7 5/20 0.49
HDAC9 Q9UKV0 5/20 0.49
HDAC5 Q9UQL6 5/20 0.49

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
SCHEMBL9866193 0.99 HTT (0.58) HTTSMN1; SMN2RAB9ATGM2MEN1
SCHEMBL9879968 0.96 HTT (0.60) HTTSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL14264247 0.89 HTT (0.64) HTTSMN1; SMN2TGM2KDM4EHDAC3
SCHEMBL10444691 0.88 HDAC6 (0.49) HTTRAB9ATGM2MEN1KMT2A
SCHEMBL9867129 0.88 HDAC6 (0.49) HTTRAB9ATGM2MEN1KMT2A
SCHEMBL9335791 0.87 HTT (0.49) HTTRAB9AMEN1KMT2AHDAC3
SCHEMBL9865134 0.83 HTT (0.53) HTTSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL31391106 0.81 CA1 (0.62) HTTSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL6400257 0.81 MGLL (0.72) RAB9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL9866697 0.80 CA1 (0.64) HTTSMN1; SMN2RAB9AMEN1KMT2A

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