SCHEMBL8039697

SCHEMBL8039697

CCC(CC)Oc1ccc(Oc2ccc(CC(=O)Nc3ccccc3C(=O)O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 1/20 0.52
KDM4E B2RXH2 4/20 0.51
PKM P14618 1/20 0.51
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
HCAR2 Q8TDS4 3/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
KDM6B O15054 1/20 0.44
KDM4D Q6B0I6 1/20 0.44
KDM4C Q9H3R0 1/20 0.44

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
SCHEMBL8037875 0.90 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2L3MBTL1GAAKDM4E
SCHEMBL8027743 0.88 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2L3MBTL1GAAKDM4E
SCHEMBL6337646 0.88 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2L3MBTL1GAAKDM4E
SCHEMBL5696409 0.87 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2L3MBTL1GAAKDM4E
SCHEMBL8044211 0.84 HCAR2 (0.52) ALDH1A1SMN1; SMN2L3MBTL1GAAKDM4E
SCHEMBL8044298 0.84 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2L3MBTL1GAAKDM4E
SCHEMBL8041236 0.83 PLK1 (0.61) ALDH1A1SMN1; SMN2L3MBTL1GAAKDM4E
SCHEMBL8041216 0.82 HCAR2 (0.54) ALDH1A1SMN1; SMN2L3MBTL1GAAKDM4E
SCHEMBL6408802 0.81 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2L3MBTL1GAAKDM4E
SCHEMBL8038280 0.81 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2L3MBTL1GAAKDM4E

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