SCHEMBL8438099

SCHEMBL8438099

CCc1sc2cc(O)ccc2c1NC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 2/20 0.47
▸ HSD17B2 P37059 2/20 0.47
▸ ESR1 P03372 8/20 0.42
▸ ESR2 Q92731 2/20 0.42
▸ DYRK1A Q13627 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ DYRK2 Q92630 1/20 0.35
▸ HSD17B3 P37058 1/20 0.35
▸ DYRK1B Q9Y463 1/20 0.35

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
SCHEMBL5242224 0.77 ESR1 (0.47) ESR1ESR2
SCHEMBL15211424 0.74 ESR1 (0.45) ESR1ESR2KDM4EGAAMAPT
SCHEMBL22868119 0.69 HSD17B2 (0.76) HSD17B1HSD17B2KDM4EALDH1A1HPGD
SCHEMBL8289975 0.69 ESR1 (0.39) ESR1ESR2HSD17B3
SCHEMBL7942065 0.69 MAPT (0.40) ESR1ESR2DYRK1AMAPTDYRK1B
SCHEMBL1616936 0.68 ESR1 (0.51) ESR1ESR2GAA
SCHEMBL7405156 0.67 MAPT (0.45) HSD17B1ESR1DYRK1AALDH1A1NPC1
SCHEMBL24683228 0.66 MEN1 (0.61) KDM4EALDH1A1HPGDNPC1LMNA
SCHEMBL30701686 0.66 MEN1 (0.61) KDM4EALDH1A1HPGDNPC1LMNA
SCHEMBL16561524 0.66 NPC1 (0.42) ESR1ESR2ALDH1A1NPC1LMNA

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
US-5969146-A MONOAMINE OXIDASE INHIBITORS SYNTHELABO (FR) 1999-10-19 — — US disclosed
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