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SCHEMBL8039707

SCHEMBL8039707

O=C(Nc1ccccc1C(=O)O)c1ccc(Oc2ccc(OC3CCCCCCC3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ DHODH Q02127 1/20 0.53
▸ SERPINE1 P05121 1/20 0.53
▸ PDE5A O76074 2/20 0.52
▸ PLK1 P53350 1/20 0.50

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
SCHEMBL8041155 0.89 PDE5A (0.66) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL30466712 0.85 MEN1 (0.72) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2025586 0.85 MEN1 (0.72) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2292518 0.84 SERPINE1 (0.71) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8039681 0.84 PDE5A (0.57) SMN1; SMN2PDE5A
SCHEMBL2270108 0.83 MEN1 (0.52) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8038299 0.83 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2
SCHEMBL8039539 0.83 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2
SCHEMBL8039702 0.83 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2
SCHEMBL6405105 0.83 ALDH1A1 (0.50) MEN1KMT2ASMN1; 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