SCHEMBL23398695

SCHEMBL23398695

CCCCc1nn(-c2ccccc2)c(C(C)C)c1O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 4/20 0.38
GAA P10253 2/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOA P21397 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
SOAT2 O75908 3/20 0.34
SOAT1 P35610 3/20 0.34
ALOX5 P09917 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL23401487 0.92 USP2 (0.43) CNR1CNR2USP2ALDH1A1GAA
SCHEMBL23399384 0.88 GCGR (0.34) PDE4APDE4BPDE4CPDE4DUSP2
SCHEMBL23402709 0.86 ALDH1A1 (0.38) ALDH1A1MAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL23401914 0.85 ALDH1A1 (0.48) PDE4APDE4BPDE4CPDE4DUSP2
SCHEMBL23403669 0.84 PDE4D (0.38) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL23400030 0.83 ALDH1A1 (0.34) ALDH1A1MAPK1L3MBTL1
SCHEMBL23403438 0.81 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL23400585 0.81 KDM4C (0.50) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL23401328 0.81 CACNA1H (0.41) USP2ALDH1A1GAAMAPK1L3MBTL1
SCHEMBL23401712 0.80 USP2 (0.43) PDE4APDE4BPDE4CPDE4DCNR1

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