SCHEMBL10608618

SCHEMBL10608618

CCCc1cc(C(=O)O)cc([N+](=O)[O-])c1Br

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HCAR3 P49019 11/20 0.49
▸ TSHR P16473 2/20 0.45
▸ CASP6 P55212 1/20 0.45
▸ TPMT P51580 1/20 0.44
▸ LMNA P02545 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL10607962 0.89 GAA (0.51) GAAMAPTHCAR3TSHRCASP6
SCHEMBL10487640 0.85 KMT2A (0.46) MAPTHCAR3ALDH1A1
SCHEMBL10487674 0.84 GAA (0.52) GAAMAPTHCAR3TSHRCASP6
SCHEMBL10487679 0.83 ALDH1A1 (0.51) GAAMAPTLMNAALDH1A1
SCHEMBL10487798 0.82 ESR1 (0.53) MAPTTSHRLMNAALDH1A1
SCHEMBL10606736 0.82 GAA (0.51) GAAMAPTHCAR3TSHRCASP6
SCHEMBL8841185 0.82 CASP6 (0.62) GAAMAPTHCAR3TSHRCASP6
SCHEMBL6180268 0.80 HCAR3 (0.64) HCAR3TSHRCASP6LMNA
SCHEMBL17399916 0.79 CASP6 (0.60) HCAR3TSHRCASP6LMNA
SCHEMBL27628930 0.77 LMNA (0.53) GAAMAPTHCAR3TSHRCASP6

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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