SCHEMBL7259729

SCHEMBL7259729

CC(=O)OCc1cncn1Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 11/20 0.61
▸ CYP11B2 P19099 11/20 0.61
▸ ALDH1A1 P00352 1/20 0.53
▸ FNTA P49354 4/20 0.48
▸ FNTB P49356 4/20 0.48
▸ PGGT1B P53609 4/20 0.48
▸ IDO1 P14902 1/20 0.47
▸ IDH1 O75874 1/20 0.43

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
SCHEMBL31471987 0.86 CYP11B1 (0.62) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL31472005 0.86 CYP11B1 (0.62) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7168316 0.85 CYP11B1 (0.47) CYP11B1CYP11B2ALDH1A1FNTAFNTB
Bromide SCHEMBL6415674 0.84 CYP11B1 (0.46) CYP11B1CYP11B2ALDH1A1FNTAFNTB
SCHEMBL6366103 0.83 CYP11B1 (0.79) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL6846552 0.82 CYP11B1 (0.54) CYP11B1CYP11B2ALDH1A1FNTAFNTB
Bromide SCHEMBL3625451 0.82 CYP11B1 (0.77) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL16892166 0.81 CYP11B1 (0.60) CYP11B1CYP11B2FNTAFNTBPGGT1B
Bromide SCHEMBL8303322 0.79 CYP11B1 (0.72) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL6776094 0.78 CYP11B1 (0.62) CYP11B1CYP11B2ALDH1A1FNTAFNTB

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-2003099812-A1 PHENYL-FURAN OR PHENYL-THIOPHENE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 2003-12-04 — — WO disclosed
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