SCHEMBL9116063

SCHEMBL9116063

COc1ccc(O)c(C(=O)CCCCCCBr)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.57
RAB9A P51151 6/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
KDM4E B2RXH2 2/20 0.57
TP53 P04637 2/20 0.57
MAPT P10636 2/20 0.57
ALOX12 P18054 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HSD17B10 Q99714 2/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
LMNA P02545 1/20 0.57
HTT P42858 2/20 0.54
USP2 O75604 1/20 0.54
ALOX15 P16050 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
PDE4B Q07343 1/20 0.47
HDAC8 Q9BY41 2/20 0.46
HDAC1 Q13547 2/20 0.46

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
SCHEMBL1442749 1.00 NPC1 (0.57) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL9117437 1.00 NPC1 (0.57) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL9117394 1.00 NPC1 (0.57) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL9117204 0.99 NPC1 (0.58) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL1442018 0.89 NPC1 (0.56) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL9114685 0.87 NPC1 (0.57) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL14261562 0.87 MEN1 (0.55) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL7267209 0.86 MAPT (0.55) MEN1KMT2AKDM4ETP53MAPT
SCHEMBL8537739 0.83 RAB9A (0.56) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL9116412 0.82 NPC1 (0.56) NPC1RAB9AMEN1KMT2AKDM4E

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
WO-1995025731-A1 NOVEL 3-(φ-(4-BENZOYLPIPERIDINO)ALKYL)-4H-BENZOPYRAN-4-ONES, PREPARATION AND THERAPEUTICAL USE THEREOF PIERRE FABRE MEDICAMENT (FR) 1995-09-28 WO disclosed