SCHEMBL11258956

SCHEMBL11258956

O=C(O)COc1cc(Cl)c2c(-c3ccccc3F)noc2c1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 6/20 0.42
▸ FFAR1 O14842 4/20 0.40
▸ PPARD Q03181 2/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ GPBAR1 Q8TDU6 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ PPARG P37231 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL10661511 0.85 FFAR4 (0.43) PTGDR2FFAR1PPARDNR1H4GPBAR1
SCHEMBL4035353 0.84 FFAR4 (0.44) PTGDR2FFAR1PPARDNR1H4GPBAR1
SCHEMBL10655898 0.83 KMT2A (0.38) PTGDR2FFAR1PPARDNR1H4GPBAR1
SCHEMBL10657153 0.80 HIF1A (0.42) PTGDR2FFAR1PPARDNR1H4GPBAR1
SCHEMBL10737896 0.80 NR1H4 (0.44) PTGDR2FFAR1PPARDNR1H4GPBAR1
SCHEMBL10655912 0.79 KDM4E (0.45) PTGDR2FFAR1PPARDNR1H4TDP1
SCHEMBL10663597 0.77 PPARG (0.45) PTGDR2FFAR1PPARDTDP1POLB
SCHEMBL10659132 0.77 HIF1A (0.41) PTGDR2FFAR1PPARDNR1H4GPBAR1
SCHEMBL11560907 0.76 PTGS1 (0.43) GPBAR1TP53MAPTNPC1RAB9A
SCHEMBL10661581 0.76 FFAR4 (0.41) PTGDR2FFAR1PPARDPPARGFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0002666-B1 1,2-BENZISOXAZOLYLOXY (OR THIO) ACETIC ACIDS AND RELATED COMPOUNDS, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1982-02-17 — — EP disclosed
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