SCHEMBL9267271

SCHEMBL9267271

O=C(NCCc1ccccc1)Oc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.76
NPC1 O15118 2/20 0.76
RAB9A P51151 2/20 0.76
GAA P10253 1/20 0.76
PLAAT3 P53816 2/20 0.63
PLAAT5 Q96KN8 2/20 0.63
PLAAT2 Q9NWW9 2/20 0.63
PLAAT4 Q9UL19 2/20 0.63
EPHX2 P34913 5/20 0.57
LTA4H P09960 4/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ITGB1 P05556 1/20 0.53
ITGA4 P13612 1/20 0.53
ITGB7 P26010 1/20 0.53
FFAR1 O14842 1/20 0.53
FAAH O00519 1/20 0.52

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
SCHEMBL9262310 0.90 TAAR1 (0.62) TAAR1NPC1RAB9AGAAPLAAT3
SCHEMBL9271074 0.88 FAAH (0.61) TAAR1NPC1RAB9AGAAPLAAT3
SCHEMBL16552390 0.84 EPHX2 (0.64) TAAR1NPC1RAB9AGAAPLAAT3
SCHEMBL9263805 0.84 NPC1 (0.67) TAAR1NPC1RAB9AGAASMN1; SMN2
SCHEMBL4850675 0.84 TAAR1 (0.66) TAAR1NPC1RAB9AGAAEPHX2
SCHEMBL30941666 0.82 EPHX2 (0.69) PLAAT3PLAAT5PLAAT2PLAAT4EPHX2
SCHEMBL14470497 0.82 TAAR1 (0.68) TAAR1NPC1RAB9AGAASMN1; SMN2
SCHEMBL16939921 0.82 HSD17B10 (0.51) TAAR1NPC1RAB9AGAALTA4H
SCHEMBL28915067 0.81 TAAR1 (0.67) TAAR1NPC1RAB9AGAASMN1; SMN2
SCHEMBL13055389 0.81 TAAR1 (0.60) TAAR1NPC1RAB9AGAAFAAH

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
US-5391571-A Cholesterol ester hydrolase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1995-02-21 US claimed
US-5391571-A Cholesterol ester hydrolase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1995-02-21 US disclosed
EP-0428385-A1 Cholesterol ester hydrolase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1991-05-22 EP disclosed