SCHEMBL10487674

SCHEMBL10487674

CCCc1cc(C(=O)O)cc([N+](=O)[O-])c1O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HCAR3 P49019 11/20 0.50
▸ TPMT P51580 1/20 0.49
▸ ESR1 P03372 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ CASP6 P55212 1/20 0.46
▸ ALDH1A1 P00352 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
SCHEMBL10487699 0.89 TPMT (0.53) GAAMAPTHCAR3TPMTESR1
SCHEMBL10606736 0.84 GAA (0.51) GAAMAPTHCAR3TPMTTSHR
SCHEMBL10608618 0.84 GAA (0.51) GAAMAPTHCAR3TPMTTSHR
SCHEMBL1515894 0.83 ESR1 (0.59) GAAMAPTESR1ALDH1A1
SCHEMBL28503260 0.82 ALDH1A1 (0.58) MAPTTPMTALDH1A1
SCHEMBL6180268 0.81 HCAR3 (0.64) HCAR3TSHRCASP6
SCHEMBL17399916 0.80 CASP6 (0.60) HCAR3TSHRCASP6
SCHEMBL503443 0.80 CASP6 (0.62) HCAR3TPMTTSHRCASP6ALDH1A1
SCHEMBL5080677 0.80 GPR35 (0.57) MAPTTSHRALDH1A1
SCHEMBL19225449 0.80 GPR35 (0.65) MAPTESR1TSHRALDH1A1

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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