SCHEMBL10610684

SCHEMBL10610684

CCCc1cc(C(=O)OCC)cc([N+](=O)[O-])c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.51
▸ MAPT P10636 4/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ PKM P14618 1/20 0.51
▸ CRHBP P24387 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ESR1 P03372 1/20 0.48
▸ POLB P06746 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ PTGER4 P35408 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ GALR2 O43603 1/20 0.42
▸ MITF O75030 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ XBP1 P17861 1/20 0.42

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
SCHEMBL10607192 0.91 ESR1 (0.53) ALDH1A1MAPTNPC1RAB9APKM
SCHEMBL10607220 0.91 KMT2A (0.54) ALDH1A1MAPTNPC1RAB9APKM
SCHEMBL10877944 0.88 KMT2A (0.46) ALDH1A1MAPTNPC1RAB9APKM
SCHEMBL2655338 0.87 KMT2A (0.57) ALDH1A1MAPTNPC1RAB9APKM
SCHEMBL1515894 0.85 ESR1 (0.59) ALDH1A1MAPTNPC1RAB9APKM
SCHEMBL10487679 0.84 ALDH1A1 (0.51) ALDH1A1MAPTNPC1RAB9APKM
SCHEMBL10606064 0.83 KMT2A (0.53) ALDH1A1MAPTNPC1RAB9APKM
SCHEMBL10606736 0.83 GAA (0.51) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL10609112 0.83 ESR1 (0.55) ALDH1A1MAPTNPC1RAB9APKM
SCHEMBL22470472 0.82 KMT2A (0.52) ALDH1A1MAPTNPC1RAB9APKM

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
EP-0206635-B1 PREPARATION OF 3-AMINO-4-HYDROXYBENZOIC ACIDS THE DOW CHEMICAL COMPANY (US) 1989-11-15 — — EP disclosed
EP-0206635-A1 Preparation of 3-amino-4-hydroxybenzoic acids THE DOW CHEMICAL COMPANY (US) 1986-12-30 — — EP disclosed
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