SCHEMBL23399322

SCHEMBL23399322

CCc1c(C(C)C)nn(-c2ccccc2)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.42
P2RX7 Q99572 1/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
PPARA Q07869 4/20 0.39
HMGCR P04035 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37
NR4A3 Q92570 1/20 0.37
USP2 O75604 1/20 0.36

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
SCHEMBL23399239 0.88 USP2 (0.43) GCGRP2RX7ALDH1A1GAATSHR
SCHEMBL23403071 0.86 P2RX7 (0.40) P2RX7ALDH1A1GAAPPARAHMGCR
SCHEMBL23398486 0.86 PPARA (0.39) GCGRP2RX7ALDH1A1LMNAPPARA
SCHEMBL23400321 0.85 GCGR (0.43) GCGRP2RX7ALDH1A1GAATSHR
SCHEMBL23398842 0.84 ALDH1A1 (0.41) P2RX7ALDH1A1LMNAMAPK13MAPK12
SCHEMBL23398569 0.81 DHODH (0.40) GCGRALDH1A1TSHRMAPK13MAPK12
SCHEMBL23402601 0.79 ALDH1A1 (0.51) ALDH1A1GAATSHRLMNAMAPK1
SCHEMBL23399015 0.79 ALDH1A1 (0.44) P2RX7ALDH1A1GAALMNAPPARA
SCHEMBL23402488 0.79 NPC1 (0.54) P2RX7ALDH1A1TSHRLMNAMAPK1
SCHEMBL23400781 0.79 ALDH1A1 (0.44) P2RX7ALDH1A1GAATSHRLMNA

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