SCHEMBL23403141

SCHEMBL23403141

CCCCc1cnn(-c2cccc(C)c2)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.46
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
PAX8 Q06710 1/20 0.43
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.40
BLM P54132 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 2/20 0.40
SMO Q99835 1/20 0.40
HSD11B1 P28845 1/20 0.39
POLB P06746 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL23401254 0.92 NPC1 (0.45) LMNANPC1RAB9APAX8KMT2A
SCHEMBL23400827 0.86 NPC1 (0.50) LMNANPC1RAB9APAX8KMT2A
SCHEMBL23398637 0.84 NR4A3 (0.43) LMNANPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL23398771 0.83 RAB9A (0.41) LMNANPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL23399736 0.82 ALDH1A1 (0.42) LMNANPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL23399765 0.81 LMNA (0.46) LMNANPC1RAB9APAX8KMT2A
SCHEMBL23402199 0.80 NPC1 (0.44) LMNANPC1RAB9APAX8KMT2A
SCHEMBL4622844 0.79 CNR1 (0.45) LMNANPC1RAB9AKMT2AKDM4E
SCHEMBL23402729 0.77 ALDH1A1 (0.46) LMNANPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL23402015 0.77 ALDH1A1 (0.42) LMNANPC1RAB9AKDM4ESMN1; SMN2

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed