SCHEMBL10606736

SCHEMBL10606736

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HCAR3 P49019 11/20 0.49
▸ TSHR P16473 1/20 0.45
▸ CASP6 P55212 1/20 0.45
▸ TPMT P51580 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ PDK1 Q15118 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KMT2A Q03164 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
SCHEMBL10606746 0.89 GAA (0.51) GAAMAPTHCAR3TSHRCASP6
SCHEMBL10877944 0.85 KMT2A (0.46) MAPTPOLBKDM4EMEN1ALDH1A1
SCHEMBL10487674 0.84 GAA (0.52) GAAMAPTHCAR3TSHRCASP6
SCHEMBL10610684 0.83 ALDH1A1 (0.51) GAAMAPTPOLBPDK1KDM4E
SCHEMBL10607192 0.82 ESR1 (0.53) MAPTTSHRPOLBPDK1KDM4E
SCHEMBL10608618 0.82 GAA (0.51) GAAMAPTHCAR3TSHRCASP6
SCHEMBL3146159 0.81 CASP6 (0.60) GAAMAPTHCAR3TSHRCASP6
SCHEMBL6180268 0.80 HCAR3 (0.64) HCAR3TSHRCASP6PDK1
Hydrochloric Acid SCHEMBL10571715 0.79 CASP6 (0.58) GAAMAPTHCAR3TSHRCASP6
SCHEMBL17399916 0.79 CASP6 (0.60) HCAR3TSHRCASP6POLBKMT2A

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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