SCHEMBL11775186

SCHEMBL11775186

CC(=O)Nc1ccccc1C(=O)Oc1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ CYP2C19 P33261 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ KDM4E B2RXH2 7/20 0.49
▸ ALDH1A1 P00352 6/20 0.49
▸ PKM P14618 1/20 0.49
▸ HPGD P15428 4/20 0.49
▸ GLA P06280 1/20 0.48
▸ PYGM P11217 2/20 0.47
▸ PYGL P06737 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ RAB9A P51151 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ STAT1 P42224 1/20 0.46
▸ LMNA P02545 2/20 0.46

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
SCHEMBL13777318 0.84 CYP2C19 (0.60) HSD17B10ALOX15MAPK1CYP2C19POLB
SCHEMBL11284057 0.82 ALDH1A1 (0.58) HSD17B10ALOX15POLBKDM4EALDH1A1
SCHEMBL29204714 0.82 ALDH1A1 (0.58) HSD17B10ALOX15POLBKDM4EALDH1A1
SCHEMBL25063290 0.80 HSD17B10 (0.58) HSD17B10ALOX15MAPK1CYP2C19POLB
SCHEMBL25063289 0.79 HPGD (0.56) HSD17B10ALOX15MAPK1CYP2C19POLB
SCHEMBL25063171 0.79 HPGD (0.56) HSD17B10ALOX15MAPK1CYP2C19POLB
SCHEMBL25063444 0.79 SMN1; SMN2 (0.58) HSD17B10ALOX15MAPK1CYP2C19POLB
SCHEMBL11774032 0.79 KMT2A (0.59) ALOX15MAPK1POLBKDM4EALDH1A1
SCHEMBL110042 0.77 POLB (0.72) HSD17B10CYP2C19POLBKDM4EALDH1A1
SCHEMBL29437050 0.77 POLB (0.72) HSD17B10CYP2C19POLBKDM4EALDH1A1

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-3932419-A QUINOLINE DYES BAYER AKTIENGESELLSCHAFT (DT) 1976-01-13 — — US disclosed
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