SCHEMBL9732736

SCHEMBL9732736

CC(=O)c1ccc2c(c1)C(Oc1ccc(=O)[nH]n1)=C(C=O)C(C)(C)O2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TLK2 Q86UE8 4/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.31
S100A4 P26447 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL9733368 0.90 ALOX5 (0.36) KDM4ENPC1RAB9AALDH1A1
SCHEMBL9733370 0.85 KDM4E (0.34) KDM4ENPC1RAB9AALDH1A1LMNA
SCHEMBL9737456 0.84 ALDH1A1 (0.34) KDM4ENPC1RAB9ATLK2ALDH1A1
SCHEMBL9732791 0.79 TLK2 (0.34) KDM4ETLK2ALDH1A1S100A4
SCHEMBL9740084 0.75 CNR2 (0.36) KDM4ENPC1RAB9AALDH1A1LMNA
SCHEMBL9735940 0.70 KDM4E (0.34) KDM4ENPC1RAB9AALDH1A1LMNA
SCHEMBL9737906 0.70 ALOX5 (0.35) KDM4ENPC1RAB9AALDH1A1LMNA
SCHEMBL9733395 0.67 S100A4 (0.35) KDM4ENPC1RAB9AS100A4
SCHEMBL9735503 0.65 ALOX5 (0.35) KDM4ENPC1RAB9AALDH1A1LMNA
SCHEMBL9733242 0.65 ALDH1A1 (0.39) NPC1RAB9AALDH1A1LMNA

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-5143924-A OXODIHYDROPYRIDYL CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-09-01 US disclosed