SCHEMBL23401007

SCHEMBL23401007

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
USP2 O75604 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
MAOA P21397 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
SOAT2 O75908 2/20 0.35
SOAT1 P35610 2/20 0.35

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
SCHEMBL23399252 0.93 USP2 (0.43) PDE4DPDE4APDE4BPDE4CCNR1
SCHEMBL23400163 0.87 CDK8 (0.36) PDE4DPDE4APDE4BPDE4CCNR1
SCHEMBL23402166 0.87 ALDH1A1 (0.48) PDE4DALDH1A1MAPK1L3MBTL1GRN
SCHEMBL23401475 0.85 RIPK2 (0.41) ALDH1A1L3MBTL1GAALMNA
SCHEMBL23400585 0.82 KDM4C (0.50) PDE4DPDE4APDE4BPDE4CCNR1
SCHEMBL23403438 0.82 PDE4A (0.43) PDE4DPDE4APDE4BPDE4CCNR1
SCHEMBL23402802 0.82 POLB (0.38) ALDH1A1MAPK1L3MBTL1KDM4ELMNA
SCHEMBL23402119 0.82 USP2 (0.41) PDE4DCNR1CNR2USP2ALDH1A1
SCHEMBL23399143 0.81 ALDH1A1 (0.42) PDE4DPDE4APDE4BPDE4CCNR1
SCHEMBL23401712 0.81 USP2 (0.43) PDE4DPDE4APDE4BPDE4CCNR1

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