SCHEMBL19159597

SCHEMBL19159597

COc1ccc2cc(C(=O)C(C)(C)C)c(=O)oc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.72
▸ HPGD P15428 5/20 0.72
▸ MAOB P27338 4/20 0.72
▸ GAA P10253 3/20 0.72
▸ SLC16A3 O15427 1/20 0.72
▸ KDM4E B2RXH2 6/20 0.67
▸ GLA P06280 2/20 0.67
▸ HSD17B10 Q99714 2/20 0.67
▸ CA12 O43570 3/20 0.64
▸ CA2 P00918 3/20 0.64
▸ CA9 Q16790 3/20 0.64
▸ RAB9A P51151 2/20 0.64
▸ POLB P06746 2/20 0.64
▸ NPC1 O15118 2/20 0.64
▸ CA3 P07451 2/20 0.64
▸ CA6 P23280 2/20 0.64
▸ CA7 P43166 2/20 0.64
▸ CA14 Q9ULX7 2/20 0.64
▸ CA4 P22748 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64

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
SCHEMBL17999230 0.88 ALDH1A1 (0.71) ALDH1A1HPGDMAOBGAASLC16A3
SCHEMBL52650 0.85 ALDH1A1 (0.81) ALDH1A1HPGDMAOBGAASLC16A3
SCHEMBL1366230 0.85 ALDH1A1 (0.81) ALDH1A1HPGDMAOBGAASLC16A3
SCHEMBL203997 0.84 SLC16A3 (1.00) ALDH1A1HPGDMAOBGAASLC16A3
SCHEMBL1104931 0.84 ALDH1A1 (1.00) ALDH1A1HPGDMAOBGAASLC16A3
SCHEMBL20414716 0.84 ALDH1A1 (0.69) ALDH1A1HPGDMAOBGAASLC16A3
SCHEMBL6687148 0.83 MAOB (0.76) ALDH1A1HPGDMAOBGAASLC16A3
SCHEMBL11829416 0.83 ALDH1A1 (0.76) ALDH1A1HPGDMAOBGAASLC16A3
SCHEMBL455614 0.83 ALDH1A1 (0.76) ALDH1A1HPGDMAOBGAASLC16A3
SCHEMBL25707817 0.83 ALDH1A1 (0.74) ALDH1A1HPGDMAOBGAASLC16A3

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-2303908-B1 FLUORESCENT CYCLIC PEPTIDES, METHODS FOR THE PREPARATION THEREOF, AND USE OF SAID PEPTIDES FOR MEASURING THE ENZYMATIC ACTIVITY OF A PROTEASE ENZYME COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-07-26 — — EP disclosed
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