SCHEMBL23398462

SCHEMBL23398462

CCCc1c(O)nn(-c2ccc(OC)cc2)c1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
TP53 P04637 3/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 2/20 0.40
GMNN O75496 1/20 0.40
USP2 O75604 1/20 0.40
ESR1 P03372 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL23398681 0.93 MAPT (0.42) PDE4DMAPTKMT2ATP53LMNA
SCHEMBL23403357 0.92 PDE4D (0.41) PDE4DMAPTKMT2ALMNAKDM4E
SCHEMBL23401376 0.90 PDE4D (0.43) PDE4DMAPTKMT2ATP53LMNA
SCHEMBL23402877 0.89 PDE4D (0.39) PDE4DMAPTKMT2ATP53LMNA
SCHEMBL23399414 0.89 ALDH1A1 (0.41) PDE4DMAPTKMT2ATP53LMNA
SCHEMBL23401927 0.87 PDE4D (0.38) PDE4DMAPTKMT2ATP53LMNA
SCHEMBL23398846 0.86 PDE4D (0.41) PDE4DMAPTKMT2ALMNACYP1A2
SCHEMBL23401369 0.85 PDE4D (0.42) PDE4DMAPTKMT2ALMNAKDM4E
SCHEMBL23398813 0.84 PDE4D (0.50) PDE4DMAPTKMT2ATP53LMNA
SCHEMBL23399917 0.84 TP53 (0.43) MAPTKMT2ATP53LMNACYP1A2

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