SCHEMBL9152799

SCHEMBL9152799

O=C(O)Cc1ccccc1Sc1cccc(Oc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ MMP2 P08253 2/20 0.56
▸ MMP9 P14780 2/20 0.56
▸ MMP12 P39900 2/20 0.56
▸ CAMK2A Q9UQM7 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ PTGDR2 Q9Y5Y4 1/20 0.45
▸ FFAR1 O14842 2/20 0.44
▸ AKR1C3 P42330 1/20 0.44
▸ SRD5A2 P31213 1/20 0.42
▸ MMP14 P50281 1/20 0.41
▸ AKR1B1 P15121 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ERCC5 P28715 1/20 0.40
▸ FEN1 P39748 1/20 0.40

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
SCHEMBL8363035 0.88 MMP2 (0.71) CYP2C9HPGDCYP2C19MMP2MMP9
SCHEMBL6932107 0.87 MMP2 (0.70) CYP2C9HPGDCYP2C19MMP2MMP9
SCHEMBL9148637 0.87 MMP2 (0.49) CYP2C9HPGDCYP2C19MMP2MMP9
SCHEMBL3765157 0.83 HPGD (0.78) CYP2C9HPGDCYP2C19MMP2MMP9
SCHEMBL5658878 0.81 CYP2C9 (0.66) CYP2C9HPGDCYP2C19MMP2MMP9
SCHEMBL316248 0.81 MMP2 (0.85) CYP2C9HPGDCYP2C19MMP2MMP9
SCHEMBL11006463 0.79 CYP2C9 (0.60) CYP2C9HPGDCYP2C19MMP2MMP9
SCHEMBL4438683 0.78 CYP2C9 (0.69) CYP2C9HPGDCYP2C19MMP2MMP9
SCHEMBL9288801 0.76 CAMK2A (0.63) CAMK2AGAAFFAR1AKR1C3SRD5A2
SCHEMBL3889251 0.76 LTA4H (0.55) GAASMN1; SMN2AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5468857-A Phenylmethoxypropenoic esters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-11-21 — — US disclosed
EP-0307103-B1 Fungicides ZENECA LTD (GB) 1994-09-21 — — EP disclosed
US-5334748-A A methyl 2-aryl heterofunctional phenoxyphenyl-3-methoxy-propenoate compound; treating the plant diseases IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-08-02 — — US disclosed
EP-0307103-A2 Fungicides ZENECA LIMITED (GB) 1989-03-15 — — EP disclosed
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