SCHEMBL11065628

SCHEMBL11065628

CCCC(=O)c1cc2c(=O)cc(C(=O)OCC)[nH]c2cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 7/20 0.47
HPGD P15428 4/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 1/20 0.47
HRH3 Q9Y5N1 1/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 5/20 0.44
KMT2A Q03164 2/20 0.44
MMP13 P45452 4/20 0.43
MMP2 P08253 3/20 0.43
LMNA P02545 4/20 0.43
NPC1 O15118 2/20 0.43
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43
ALOX15 P16050 2/20 0.43

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
SCHEMBL11075982 0.86 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL11069218 0.78 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL11260822 0.78 ALDH1A1 (0.36) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL11064412 0.75 GABRA1 (0.60) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL9724289 0.75 ALDH1A1 (0.68) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL10478330 0.73 ALOX15 (0.49) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL9452276 0.73 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL5565082 0.73 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL31437284 0.73 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL5639156 0.73 ALOX15 (0.69) KDM4EALDH1A1HPGDHSD17B10MAPK1

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-4476132-A Acylquinolinone derivatives, and antiallergic preparations and methods of inhibiting allergic reactions using them CIBA-GEIGY CORPORATION (US) 1984-10-09 US disclosed