SCHEMBL29627410

SCHEMBL29627410

CC(C)(c1cc(O)c(C(=O)Nc2ccccn2)c(O)c1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KCNMA1 Q12791 1/20 0.43
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42

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
SCHEMBL24539677 1.00 GRM5 (0.46) GRM5NPC1RAB9AALDH1A1KDM4E
SCHEMBL29627397 0.86 NPC1 (0.50) GRM5NPC1RAB9AALDH1A1KDM4E
SCHEMBL24539680 0.83 HPGD (0.44) RAB9AKDM4ELMNAMAPTTP53
SCHEMBL24539603 0.72 MEN1 (0.49) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL29627416 0.72 MEN1 (0.49) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL1399929 0.68 NPC1 (0.62) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL5139794 0.68 RAB9A (0.65) GRM5NPC1RAB9AALDH1A1LMNA
Hydrochloric Acid SCHEMBL27440821 0.67 RAB9A (0.64) GRM5NPC1RAB9AALDH1A1LMNA
SCHEMBL27488058 0.66 L3MBTL1 (0.64) GRM5NPC1RAB9AALDH1A1KDM4E
SCHEMBL27488421 0.66 RAB9A (0.63) GRM5NPC1RAB9AALDH1A1MAPT

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-2022133058-A1 RESORCINOL-BASED COMPOUNDS AND USES THEREOF SUTTER BAY HOSPITALS (US) 2022-06-23 WO disclosed