SCHEMBL24180251

SCHEMBL24180251

COc1cc(OCCCCN)cc2c1[C@]1(O)C3OC(=O)NC3[C@@H](c3ccccc3)C1O2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABHD10 Q9NUJ1 1/20 0.37
▸ EIF4A1 P60842 6/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ CYP3A4 P08684 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ GRM5 P41594 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ DRD2 P14416 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PPARG P37231 2/20 0.31
▸ PPARD Q03181 2/20 0.31

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
SCHEMBL24180127 0.92 ABHD10 (0.38) ABHD10EIF4A1NFKB1RELACYP3A4
SCHEMBL24180133 0.88 ABHD10 (0.47) ABHD10EIF4A1NFKB1RELACYP3A4
SCHEMBL24180150 0.83 ABHD10 (0.39) ABHD10EIF4A1NFKB1RELACYP3A4
SCHEMBL17396559 0.77 ABHD10 (0.61) ABHD10EIF4A1NFKB1RELACYP3A4
SCHEMBL17396562 0.77 ABHD10 (0.61) ABHD10EIF4A1NFKB1RELACYP3A4
SCHEMBL24426931 0.76 ALDH1A1 (0.34) CYP3A4ALDH1A1TSHRCYP2C19KDM4E
SCHEMBL24180194 0.76 ABHD10 (0.39) ABHD10EIF4A1NFKB1RELACYP3A4
SCHEMBL18862721 0.75 ABHD10 (0.50) ABHD10EIF4A1NFKB1RELACYP3A4
SCHEMBL24426915 0.73 EIF4A1 (0.45) ABHD10EIF4A1CYP3A4ALDH1A1HIF1A
SCHEMBL17396618 0.72 ABHD10 (0.63) ABHD10EIF4A1NFKB1RELACYP3A4

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-3418273-B1 FLAVAGLINE DERIVATIVES PF MEDICAMENT (FR) 2022-01-12 — — EP disclosed
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