SCHEMBL9490407

SCHEMBL9490407

CCCC(c1ccc(C(=O)OC)cc1OC)c1c[nH]c2ccc(CCNC(=O)N3CCOCC3)cc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
MEN1 O00255 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
DRD2 P14416 1/20 0.36
ADRA1A P35348 1/20 0.36
DRD3 P35462 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9490929 0.95 KMT2A (0.43) KMT2AALDH1A1MAPTUSP2MEN1
SCHEMBL9489892 0.89 KMT2A (0.45) KMT2AALDH1A1MAPTUSP2MEN1
SCHEMBL9490939 0.86 KMT2A (0.40) KMT2A
SCHEMBL9488909 0.85 KMT2A (0.45) KMT2AALDH1A1MAPTUSP2MEN1
SCHEMBL9488618 0.84 POLB (0.41) KMT2AMAPTMEN1HSD17B10POLB
SCHEMBL9490428 0.82 NPC1 (0.45) KMT2AMAPTMEN1HSD17B10POLB
SCHEMBL9374070 0.82 THRA (0.40) KMT2AALDH1A1MAPTMEN1
SCHEMBL9372611 0.81 MEN1 (0.40) KMT2AALDH1A1MEN1
SCHEMBL9373091 0.80 MEN1 (0.38) KMT2AALDH1A1MEN1KDM4EGAA
SCHEMBL9371859 0.80 MTNR1A (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0337766-B1 HETERA-ALIPHATIC CARBOXAMIDES ICI AMERICAS INC. (US) 1993-03-10 EP disclosed
US-5041460-A Antiallergens, antiinflammatory agents and leukotriene antagonists ICI AMERICAS INC. (US) 1991-08-20 US disclosed
EP-0337766-A1 Hetera-aliphatic carboxamides ICI AMERICAS INC. (US) 1989-10-18 EP disclosed