SCHEMBL9036833

SCHEMBL9036833

O=C(O)Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.74
CHRM1 P11229 1/20 0.59
NR3C1 P04150 1/20 0.59
TDP1 Q9NUW8 1/20 0.54
MRGPRX4 Q96LA9 2/20 0.54
PTGDR Q13258 1/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.53
TTR P02766 2/20 0.52
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51

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
SCHEMBL9272097 0.87 FFAR1 (0.64) FFAR1CHRM1NR3C1TDP1MRGPRX4
SCHEMBL12667945 0.85 FFAR1 (1.00) FFAR1CHRM1TDP1MRGPRX4TTR
SCHEMBL13742641 0.82 FFAR1 (0.56) FFAR1CHRM1NR3C1PTGDR2THRA
SCHEMBL13742516 0.82 PNLIP (0.59) FFAR1NR3C1PTGDR2
SCHEMBL6441891 0.82 SRD5A2 (0.62) FFAR1NR3C1PTGDR2THRATHRB
SCHEMBL28275130 0.80 MRGPRX4 (0.70) FFAR1MRGPRX4TTR
SCHEMBL23120336 0.79 FFAR1 (0.52) FFAR1NR3C1PTGDRPTGDR2THRA
SCHEMBL8332044 0.79 FFAR1 (0.71) FFAR1CHRM1TDP1MRGPRX4PTGDR2
SCHEMBL13742653 0.79 PNLIP (0.67) FFAR1PTGDRPTGDR2
SCHEMBL11574819 0.78 CHRM1 (0.58) FFAR1CHRM1TDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0442655-B1 Benzisoxazole derivatives ZENECA LTD (GB) 1996-01-17 EP disclosed
US-5176737-A BENZISOXAZOLE COMPOUNDS USEFUL AS HERBICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-01-05 US disclosed
EP-0442655-A2 Benzisoxazole derivatives ZENECA LIMITED (GB) 1991-08-21 EP disclosed
EP-0057047-B1 PROCESS FOR THE PREPARATION OF 2-(2,4-DICHLOROPHENOXY) PHENYLACETIC ACID RECKITT AND COLMAN PRODUCTS LIMITED (GB) 1984-08-08 EP disclosed
US-4404396-A Process for the preparation of 2-(2,4-dichlorophenoxy)-phenylacetic acid RECKITT & COLMAN PRODUCTS LIMITED (GB) 1983-09-13 US disclosed
EP-0057047-A1 Process for the preparation of 2-(2,4-dichlorophenoxy) phenylacetic acid RECKITT AND COLMAN PRODUCTS LIMITED (GB) 1982-08-04 EP disclosed