SCHEMBL23960463

SCHEMBL23960463

O=C(Cc1ccc(Oc2nc3ccccc3s2)cc1F)NCCc1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 11/20 1.00
▸ LTA4H P09960 9/20 1.00
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ PTGS1 P23219 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ PPARG P37231 1/20 0.42
▸ PPARA Q07869 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
SCHEMBL18579795 0.76 EPHX2 (0.73) EPHX2LTA4HHPGDHTTSMN1; SMN2
SCHEMBL1905934 0.76 LTA4H (0.62) EPHX2LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL28529055 0.75 LTA4H (0.69) EPHX2LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL20481432 0.74 EPHX2 (0.69) EPHX2LTA4HLMNAKCNH2
SCHEMBL1903396 0.73 LTA4H (0.60) EPHX2LTA4HPTGS1PTGS2CYP1A2
SCHEMBL20481361 0.73 EPHX2 (0.69) EPHX2LTA4HLMNA
SCHEMBL1903808 0.72 CYP1A2 (0.64) EPHX2LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL20481523 0.72 EPHX2 (0.68) EPHX2LTA4HALDH1A1CYP1A2CYP3A4
SCHEMBL23111500 0.72 LTA4H (0.65) EPHX2LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL20481349 0.72 EPHX2 (0.67) EPHX2LTA4HLMNA

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
WO-2021214048-A1 DUAL INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE AND 5-LIPOXYGENASE Johann Wolfgang Goethe-Universität Frankfurt am Main (DE) 2021-10-28 — — WO disclosed
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