SCHEMBL21242880

SCHEMBL21242880

COC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.65
RAB9A P51151 10/20 0.65
SMN1; SMN2 Q16637 7/20 0.65
TP53 P04637 6/20 0.65
ALOX15 P16050 1/20 0.65
ALDH1A1 P00352 5/20 0.62
KMT2A Q03164 5/20 0.60
KDM4E B2RXH2 3/20 0.60
MEN1 O00255 3/20 0.60
CYP2C9 P11712 2/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 1/20 0.60
GAA P10253 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
MAPT P10636 1/20 0.60
MAPK1 P28482 1/20 0.60
PKM P14618 3/20 0.59
KCNK9 Q9NPC2 1/20 0.58
POLB P06746 1/20 0.58

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
SCHEMBL16592199 0.89 KMT2A (0.69) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL16589419 0.83 NPC1 (0.69) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL6580095 0.82 NPC1 (0.67) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL22640296 0.81 RAB9A (0.86) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL11592884 0.80 NPC1 (0.69) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL6799157 0.80 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL13086314 0.79 NPC1 (0.67) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL14184959 0.79 MAPK1 (0.58) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL294143 0.78 CA12 (0.72) NPC1RAB9ASMN1; SMN2ALOX15ALDH1A1
SCHEMBL2127575 0.77 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1KMT2AKDM4EMEN1

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
EP-3049388-B1 NUCLEATING AGENT FOR THERMOPLASTIC POLYMER COMPOSITION MILLIKEN & CO (US) 2019-08-07 EP disclosed