SCHEMBL10494386

SCHEMBL10494386

O=C(c1ccc(Oc2ccc(C(=O)c3ccccc3[N+](=O)[O-])cc2)cc1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPSE Q9Y251 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ SRD5A2 P31213 2/20 0.53
▸ ALDH1A1 P00352 3/20 0.51
▸ CTSD P07339 1/20 0.49
▸ MAPT P10636 2/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ MAPK1 P28482 1/20 0.45

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
Diphenylether SCHEMBL27582150 0.92 HPSE (0.58) HPSESMN1; SMN2SRD5A2ALDH1A1CTSD
SCHEMBL8088214 0.88 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1MAPTKMT2ANPC1
SCHEMBL11301800 0.85 MAPK1 (0.59) HPSEALDH1A1CTSDMAPTNPC1
SCHEMBL27637513 0.84 ALDH1A1 (0.59) ALDH1A1CTSDMAPTNPC1RAB9A
SCHEMBL411359 0.84 ALDH1A1 (0.59) ALDH1A1CTSDMAPTNPC1RAB9A
SCHEMBL11301789 0.83 MAPK1 (0.60) SRD5A2ALDH1A1CTSDPOLBGAA
SCHEMBL11023432 0.83 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1CTSDMAPTKMT2A
SCHEMBL30435123 0.83 MAPK1 (0.60) SRD5A2ALDH1A1CTSDPOLBGAA
Water SCHEMBL4951772 0.83 ALDH1A1 (0.58) ALDH1A1CTSDMAPTKMT2ANPC1
SCHEMBL28783981 0.83 ALDH1A1 (0.58) ALDH1A1CTSDMAPTNPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1042452-A — — None — — JP disclosed
JP-S6442452-A PRODUCTION OF 4,4'-BIS(ALKOXYBENZOYL)DIPHENYL ETHERS ASAHI CHEMICAL IND 1989-02-14 — — JP disclosed
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