SCHEMBL9490929

SCHEMBL9490929

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
ALDH1A1 P00352 6/20 0.40
MEN1 O00255 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
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
LRRK2 Q5S007 1/20 0.36
RECQL P46063 1/20 0.35

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
SCHEMBL9490407 0.95 KMT2A (0.43) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL9488909 0.90 KMT2A (0.45) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL9490939 0.86 KMT2A (0.40) KMT2A
SCHEMBL9489892 0.84 KMT2A (0.45) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL9491235 0.84 POLB (0.42) KMT2AMEN1MAPTHSD17B10POLB
SCHEMBL9488388 0.84 POLB (0.42) KMT2AMEN1MAPTHSD17B10POLB
SCHEMBL9374981 0.81 MEN1 (0.41) KMT2AALDH1A1MEN1
SCHEMBL9372351 0.80 MTNR1A (0.41)
SCHEMBL9488618 0.78 POLB (0.41) KMT2AMEN1MAPTHSD17B10POLB
SCHEMBL9371751 0.78 POLB (0.37) ALDH1A1SMN1; SMN2KDM4EHSD17B10POLB

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