SCHEMBL23399697

SCHEMBL23399697

CCCCc1c(CC)nn(-c2ccccc2)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
GCGR P47871 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
MAPT P10636 3/20 0.39
KMT2A Q03164 1/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL23402141 0.92 USP2 (0.45) ALDH1A1MAPK1L3MBTL1USP2GAA
SCHEMBL23401063 0.91 USP2 (0.47) ALDH1A1MAPK1L3MBTL1USP2GAA
SCHEMBL23403047 0.91 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1USP2GAA
SCHEMBL23399325 0.90 ALDH1A1 (0.42) ALDH1A1MAPK1L3MBTL1USP2GAA
SCHEMBL23403298 0.88 PDE4A (0.38) ALDH1A1MAPK1L3MBTL1USP2LMNA
SCHEMBL23401840 0.88 USP2 (0.44) ALDH1A1MAPK1L3MBTL1USP2GAA
SCHEMBL23402601 0.87 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1USP2GAA
SCHEMBL23401505 0.86 NPC1 (0.51) ALDH1A1MAPK1USP2LMNATSHR
SCHEMBL23398996 0.86 ALDH1A1 (0.41) ALDH1A1MAPK1L3MBTL1LMNANPC1
SCHEMBL23399973 0.85 USP2 (0.44) ALDH1A1MAPK1L3MBTL1USP2GAA

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