SCHEMBL23401712

SCHEMBL23401712

CCCCc1nn(-c2ccccc2)c(CCC)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
MAOA P21397 2/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 3/20 0.37
PKM P14618 1/20 0.37
GAA P10253 2/20 0.37
KDM4C Q9H3R0 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.36
SOAT2 O75908 2/20 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
SCHEMBL23403438 0.95 PDE4A (0.43) USP2PDE4APDE4BPDE4CPDE4D
SCHEMBL23400110 0.94 USP2 (0.43) USP2PDE4APDE4BPDE4CPDE4D
SCHEMBL23401002 0.92 USP2 (0.46) USP2CNR1CNR2MAOAALDH1A1
SCHEMBL23399143 0.91 ALDH1A1 (0.42) USP2PDE4APDE4BPDE4CPDE4D
SCHEMBL23402088 0.88 ALDH1A1 (0.46) USP2PDE4APDE4BPDE4CPDE4D
SCHEMBL23403024 0.88 ALDH1A1 (0.48) USP2CNR1CNR2MAOAALDH1A1
SCHEMBL23401506 0.87 ALDH1A1 (0.36) USP2PDE4APDE4BPDE4CPDE4D
SCHEMBL23401773 0.86 CACNA1H (0.45) USP2PDE4APDE4BPDE4CPDE4D
SCHEMBL23401937 0.85 ALDH1A1 (0.40) USP2ALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL23403529 0.85 USP2 (0.45) USP2CNR1CNR2MAOAALDH1A1

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