SCHEMBL10614660

SCHEMBL10614660

O=c1c2ccccc2oc2ccc(Oc3ccccc3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 1.00
RAB9A P51151 4/20 1.00
POLB P06746 1/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
MAOA P21397 4/20 0.69
ACHE P22303 2/20 0.60
MAPT P10636 3/20 0.58
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
GLA P06280 1/20 0.58
CYP3A4 P08684 1/20 0.58
PGAM1 P18669 1/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
HSD17B10 Q99714 1/20 0.58
ACSL1 P33121 4/20 0.58
ACSL6 Q9UKU0 3/20 0.58
TTR P02766 1/20 0.56

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
SCHEMBL10611335 0.90 NPC1 (0.82) NPC1RAB9APOLBL3MBTL1MAOA
SCHEMBL394209 0.82 MAOA (1.00) NPC1RAB9APOLBL3MBTL1MAOA
SCHEMBL9413588 0.81 NPC1 (0.68) NPC1RAB9APOLBL3MBTL1MAOA
SCHEMBL30536437 0.79 MAOA (0.72) NPC1RAB9APOLBL3MBTL1MAOA
SCHEMBL20594364 0.79 MAOA (0.72) NPC1RAB9APOLBL3MBTL1MAOA
Ethylene SCHEMBL18528476 0.79 MAOA (0.94) NPC1RAB9APOLBL3MBTL1MAOA
Dibenzofuran SCHEMBL11430526 0.79 NPC1 (0.65) NPC1RAB9APOLBL3MBTL1MAOA
Xanthone SCHEMBL28434710 0.78 MAOA (0.95) NPC1RAB9APOLBL3MBTL1MAOA
SCHEMBL30130333 0.78 MAOA (0.70) NPC1RAB9APOLBL3MBTL1MAOA
SCHEMBL392389 0.78 MAOA (0.70) NPC1RAB9APOLBL3MBTL1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4767837-A Method for preparing poly(aryl ether ketones) RAYCHEM CORPORATION (US) 1988-08-30 US disclosed