SCHEMBL10609057

SCHEMBL10609057

CCCOC(=O)c1cc(C)c(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 5/20 0.55
▸ COMT P21964 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ LMNA P02545 5/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ GLA P06280 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAPT P10636 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ KMT2A Q03164 3/20 0.44
▸ PTGER4 P35408 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ AGTR1 P30556 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
SCHEMBL10606064 0.90 KMT2A (0.53) ESR1ALDH1A1LMNARAB9ANPSR1
SCHEMBL10609112 0.86 ESR1 (0.55) ESR1COMTALDH1A1LMNARAB9A
SCHEMBL10607192 0.84 ESR1 (0.53) ESR1COMTALDH1A1LMNARAB9A
SCHEMBL22121367 0.84 ESR1 (0.53) ESR1COMTALDH1A1LMNARAB9A
SCHEMBL10487618 0.84 ESR1 (0.55) ESR1ALDH1A1LMNARAB9AGLA
SCHEMBL2655338 0.83 KMT2A (0.57) ESR1ALDH1A1LMNARAB9ANPSR1
SCHEMBL31161445 0.81 LMNA (0.53) ALDH1A1LMNANPSR1MAPTPKM
SCHEMBL10608607 0.81 LMNA (0.53) ALDH1A1LMNANPSR1MAPTPKM
SCHEMBL11341084 0.81 ESR1 (0.78) ESR1COMTALDH1A1RAB9AMAPT
SCHEMBL10607220 0.78 KMT2A (0.54) ESR1ALDH1A1LMNARAB9ANPSR1

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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