SCHEMBL9879968

SCHEMBL9879968

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
RAB9A P51151 6/20 0.54
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 4/20 0.52
MGLL Q99685 1/20 0.51
NR1H4 Q96RI1 2/20 0.51
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
MITF O75030 1/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 1/20 0.49
POLB P06746 1/20 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
SCHEMBL9866193 0.97 HTT (0.58) HTTSMN1; SMN2RAB9AKMT2AALDH1A1
SCHEMBL9865066 0.96 HTT (0.57) HTTSMN1; SMN2RAB9AKMT2AALDH1A1
SCHEMBL9865134 0.87 HTT (0.53) HTTSMN1; SMN2RAB9AKMT2AALDH1A1
SCHEMBL9335791 0.84 HTT (0.49) HTTRAB9AKMT2AMEN1MAPT
SCHEMBL9867129 0.84 HDAC6 (0.49) HTTRAB9AKMT2AMEN1
SCHEMBL10444691 0.84 HDAC6 (0.49) HTTRAB9AKMT2AMEN1
SCHEMBL14264247 0.83 HTT (0.64) HTTSMN1; SMN2KDM4ELMNA
SCHEMBL6400257 0.83 MGLL (0.72) RAB9AKMT2AALDH1A1MEN1KDM4E
SCHEMBL9866050 0.81 GAA (0.54) HTTSMN1; SMN2RAB9AKMT2AALDH1A1
SCHEMBL5306095 0.78 NR4A2 (0.63) HTTSMN1; SMN2KMT2ANR1H4MAPT

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