SCHEMBL23401374

SCHEMBL23401374

CCn1[nH]c(C(C)(C)C)c(-c2ccc(C)cc2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
RAB9A P51151 2/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
PSD A5PKW4 3/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
RAD51 Q06609 1/20 0.32
DCTPP1 Q9H773 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
POLB P06746 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL23400128 0.88 ADORA2A (0.38) ALDH1A1TSHRRAB9AHSD17B10LMNA
SCHEMBL23400227 0.86 KMT2A (0.38) ALDH1A1LMNATP53KMT2AKDM4E
SCHEMBL23398684 0.84 ALDH1A1 (0.38) ALDH1A1TSHRRAB9AHSD17B10LMNA
SCHEMBL23400783 0.81 KDM4E (0.44) LMNAKMT2AKDM4EMEN1GAA
SCHEMBL23398468 0.80 GAA (0.35) ALDH1A1TSHRRAB9AHSD17B10LMNA
SCHEMBL23399726 0.80 BRD4 (0.38) ALDH1A1RAB9AHSD17B10KMT2AKDM4E
SCHEMBL23402306 0.78 GAA (0.47) ALDH1A1TSHRRAB9AHSD17B10LMNA
SCHEMBL23401123 0.77 GAA (0.46) ALDH1A1RAB9ALMNATP53KMT2A
SCHEMBL23400755 0.76 ADORA2A (0.35) ALDH1A1TSHRRAB9AHSD17B10TP53
SCHEMBL23398894 0.73

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