SCHEMBL9488909

SCHEMBL9488909

COc1cc(C(=O)O)ccc1C(C)c1c[nH]c2ccc(CCNC(=O)N3CCOCC3)cc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.45
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.39
USP2 O75604 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DRD2 P14416 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
RECQL P46063 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL9489892 0.94 KMT2A (0.45) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL9490929 0.90 KMT2A (0.43) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL9490452 0.85 KMT2A (0.41) KMT2A
SCHEMBL9490407 0.85 KMT2A (0.43) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL9489489 0.84 TDP1 (0.43) KMT2AALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL9488414 0.83 TRPV1 (0.41) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL9490939 0.77 KMT2A (0.40) KMT2A
SCHEMBL8536466 0.77 CA12 (0.47) TRPV1LMNA
SCHEMBL9490136 0.76 TRPV1 (0.41) KMT2AALDH1A1MEN1MAPTHSD17B10
SCHEMBL9372039 0.76 L3MBTL1 (0.41) KMT2AMEN1SMN1; SMN2TRPV1LMNA

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