SCHEMBL10487798

SCHEMBL10487798

CCCOC(=O)c1cc(CCC)c(Br)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.53
▸ ALDH1A1 P00352 6/20 0.45
▸ LMNA P02545 4/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ GLA P06280 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MAPT P10636 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ KMT2A Q03164 2/20 0.40
▸ PTGER4 P35408 1/20 0.40
▸ TDP1 Q9NUW8 3/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL10487693 0.92 ESR1 (0.55) ESR1ALDH1A1LMNARAB9AGLA
SCHEMBL10487679 0.91 ALDH1A1 (0.51) ESR1ALDH1A1LMNARAB9ANPSR1
SCHEMBL10487640 0.87 KMT2A (0.46) ESR1ALDH1A1RAB9ANPSR1MAPT
SCHEMBL10607192 0.85 ESR1 (0.53) ESR1ALDH1A1LMNARAB9AGLA
SCHEMBL10487618 0.84 ESR1 (0.55) ESR1ALDH1A1LMNARAB9AGLA
SCHEMBL10608618 0.82 GAA (0.51) ALDH1A1LMNAMAPTTSHR
SCHEMBL10487703 0.81 KMT2A (0.52) ESR1ALDH1A1LMNARAB9ANPSR1
SCHEMBL10609112 0.79 ESR1 (0.55) ESR1ALDH1A1LMNARAB9AGLA
SCHEMBL10487697 0.77 KMT2A (0.49) ESR1ALDH1A1LMNARAB9ANPSR1
SCHEMBL1515894 0.76 ESR1 (0.59) 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 3 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
US-4835306-A Preparation of 3-amino-4-hydroxybenzoic acids THE DOW CHEMICAL COMPANY (US) 1989-05-30 — — US 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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