SCHEMBL11458159

SCHEMBL11458159

Cc1ccc2[nH]c(=O)cc(C(C)C(=O)O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
KDM4E B2RXH2 7/20 0.56
MAPT P10636 3/20 0.56
PKM P14618 1/20 0.56
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
POLB P06746 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 2/20 0.44
HPGD P15428 3/20 0.43
HSD17B10 Q99714 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.43
GFER P55789 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 3/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL11470412 0.88 KDM4E (0.46) ALDH1A1KDM4EMAPTPKMMEN1
SCHEMBL15031157 0.83 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTPKMMEN1
SCHEMBL19690118 0.83 AR (0.56) ALDH1A1KDM4EMAPTPKMMEN1
SCHEMBL1253014 0.82 KDM4E (0.54) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL11466828 0.80 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTPKMMEN1
SCHEMBL8211259 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTPKMMEN1
SCHEMBL8214258 0.77 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTPKMMEN1
SCHEMBL8206500 0.77 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTPKMMEN1
SCHEMBL7429885 0.75 KDM4E (0.66) ALDH1A1KDM4EMAPTPKMMEN1
SCHEMBL31475465 0.73 LMNA (0.67) ALDH1A1KDM4EMAPTPKMMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4187310-A ANTIINFLAMMATORY AGENT, ANALGESICS, ENZYME INHIBITORS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-02-05 US disclosed
US-4138490-A Analgesic compositions containing 1,2-dihydro-2-oxoquinol-4-ylpropionic acid derivatives IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-02-06 US disclosed