SCHEMBL8041198

SCHEMBL8041198

O=C(Cc1ccc(Oc2ccccc2OCc2ccccc2)cc1)Nc1ccccc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
ALDH1A1 P00352 5/20 0.59
L3MBTL1 Q9Y468 3/20 0.56
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
PKM P14618 1/20 0.52
CTSV O60911 2/20 0.50
CTSL P07711 2/20 0.50
HCAR2 Q8TDS4 3/20 0.49
CHRM4 P08173 1/20 0.48
CHRM3 P20309 1/20 0.48
CLCN2 P51788 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
TDP1 Q9NUW8 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
SCHEMBL8027767 0.90 ALDH1A1 (0.61) GAAALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL6408802 0.89 ALDH1A1 (0.60) GAAALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL5696409 0.85 ALDH1A1 (0.63) GAAALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL14513318 0.84 MEN1 (0.61) GAAALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL8044298 0.83 ALDH1A1 (0.60) GAAALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL8038280 0.82 ALDH1A1 (0.56) GAAALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL8038295 0.81 ALDH1A1 (0.56) GAAALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL6580909 0.81 HCAR2 (0.60) GAAALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL7298832 0.81 BRD4 (0.70) GAAALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL4040223 0.81 ALDH1A1 (0.82) GAAALDH1A1L3MBTL1KDM4ESMN1; SMN2

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-0806412-B1 BENZENE DERIVATIVES TEIJIN LTD (JP) 2000-04-05 EP disclosed