SCHEMBL10495115

SCHEMBL10495115

O=C(O)c1ccc(OCCNC(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.64
USP2 O75604 1/20 0.64
ALOX15 P16050 1/20 0.64
TSHR P16473 1/20 0.64
MAPK1 P28482 1/20 0.64
HSD17B10 Q99714 1/20 0.64
RAB9A P51151 6/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
HPGD P15428 2/20 0.63
HSP90AA1 P07900 1/20 0.58
RXRA P19793 1/20 0.57
RXRB P28702 1/20 0.57
CASP3 P42574 2/20 0.57
SENP7 Q9BQF6 2/20 0.57
POLB P06746 1/20 0.57
ALDH1A1 P00352 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPT P10636 2/20 0.53
PKM P14618 1/20 0.53

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
SCHEMBL10495055 0.88 NPC1 (0.82) NPC1USP2ALOX15TSHRMAPK1
SCHEMBL10495144 0.86 NPC1 (0.65) NPC1RAB9ASMN1; SMN2HPGDHSP90AA1
SCHEMBL10495056 0.85 RAB9A (0.65) NPC1USP2ALOX15TSHRMAPK1
SCHEMBL10495065 0.85 NPC1 (0.88) NPC1USP2ALOX15TSHRMAPK1
SCHEMBL10495125 0.85 NPC1 (0.77) NPC1USP2ALOX15TSHRMAPK1
SCHEMBL10495015 0.84 NPC1 (0.75) NPC1USP2ALOX15TSHRMAPK1
SCHEMBL10494994 0.83 NPC1 (0.82) NPC1USP2ALOX15TSHRMAPK1
SCHEMBL11446543 0.82 RXRA (0.57) NPC1USP2ALOX15TSHRMAPK1
SCHEMBL10495017 0.82 NPC1 (0.63) NPC1USP2ALOX15TSHRMAPK1
SCHEMBL9339620 0.81 RXRA (0.56) NPC1USP2ALOX15TSHRMAPK1

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-4831055-A ANTILIPEMIC AND ANTICHOLESTEROL AGENTS NIPPON SHINYAKU CO., LTD. (JP) 1989-05-16 US disclosed