SCHEMBL9003583

SCHEMBL9003583

Nc1ccccc1C1(C(=O)O)C=CC(C(=O)O)C=C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
HDAC3 O15379 1/20 0.30
MAPK1 P28482 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30

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
SCHEMBL6443676 0.83 MAPT (0.34) THRBTDP1GAAMAPTCRHBP
SCHEMBL6865135 0.83 F13A1 (0.38) TDP1GAAMAPTHDAC3HDAC1
SCHEMBL10629210 0.83 THRB (0.33) THRBTDP1GAAMAPT
SCHEMBL9003752 0.81 ALDH1A1 (0.41) THRBTDP1MAPTCRHBPCRHR2
SCHEMBL9683488 0.69 GRIN2B (0.40) THRBTDP1CRHBPCRHR2
SCHEMBL900832 0.67 MEN1 (0.37) THRBTDP1MAPTCRHBPCRHR2
SCHEMBL809393 0.66 CRHBP (0.50) CRHBPCRHR2
SCHEMBL9683566 0.66 NPSR1 (0.33) THRBTDP1CRHBPCRHR2
SCHEMBL9683216 0.64 TSHR (0.35) GAAMAPTCRHBPCRHR2MAPK1
SCHEMBL2810790 0.63 GRM4 (0.33) TDP1

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
US-5491201-A HEAT/CHEMICAL RESISTANCE; HIGH MECHANICAL STRENGTH THE DOW CHEMICAL COMPANY (US) 1996-02-13 US disclosed
US-5338828-A Mesogenic cyclic imino ether-containing compositions and polymerization products thereof THE DOW CHEMICAL COMPANY (US) 1994-08-16 US disclosed
US-5281675-A Liquid crystal polymers THE DOW CHEMICAL COMPANY (US) 1994-01-25 US disclosed