SCHEMBL9490404

SCHEMBL9490404

CCCn1cc(Cc2ccc(C(=O)OC)cc2OC)c2cc(CCNC(=O)N3CCOCC3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.48
CYSLTR1 Q9Y271 2/20 0.48
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.43
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9490924 0.94 CYSLTR2 (0.55) CYSLTR2CYSLTR1KMT2AMEN1MAPT
SCHEMBL9489888 0.91 KMT2A (0.46) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL9490935 0.85
SCHEMBL9488905 0.84 KMT2A (0.46) CYSLTR2CYSLTR1KMT2AALDH1A1
SCHEMBL9488613 0.84 CYSLTR2 (0.49) CYSLTR2CYSLTR1MAPT
SCHEMBL9490426 0.83 CYSLTR2 (0.54) CYSLTR2CYSLTR1
SCHEMBL9372946 0.82 CYSLTR2 (0.51) CYSLTR2CYSLTR1
SCHEMBL9371854 0.82 CYSLTR2 (0.50) CYSLTR2CYSLTR1KMT2AMEN1
SCHEMBL9374065 0.81 CYSLTR2 (0.55) CYSLTR2CYSLTR1
SCHEMBL9373086 0.81 CYSLTR2 (0.54) CYSLTR2CYSLTR1

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 4 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
CN-1037895-A HETERA-ALIPHATIC CARBOXAMIDES ICI AMERICA INC (US) 1989-12-13 CN disclosed
EP-0337766-A1 Hetera-aliphatic carboxamides ICI AMERICAS INC. (US) 1989-10-18 EP disclosed