SCHEMBL23401243

SCHEMBL23401243

CCCc1c(-c2ccc(C)cc2)c(O)nn1-c1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.42
PTGS2 P35354 3/20 0.42
CCKAR P32238 3/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CFTR P13569 1/20 0.40
ALOX5 P09917 2/20 0.40
PDE4D Q08499 1/20 0.39
HTT P42858 1/20 0.39
CUL4A Q13619 1/20 0.39

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
SCHEMBL23400119 0.93 KDM4E (0.41) PTGS1PTGS2CCKARHPGDNPC1
SCHEMBL23401194 0.91 MAPT (0.42) PTGS2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL23398398 0.90 PTGS1 (0.44) PTGS1PTGS2CCKARHPGDNPC1
SCHEMBL23399733 0.89 ALDH1A1 (0.46) PTGS1PTGS2HPGDNPC1POLB
SCHEMBL23398626 0.85 MAPT (0.41) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL23398540 0.85 MAPT (0.44) HPGDNPC1POLBRAB9ASMN1; SMN2
SCHEMBL23402968 0.84 CCKAR (0.45) PTGS1PTGS2CCKARHPGDNPC1
SCHEMBL23403456 0.83 GCGR (0.38) PTGS2NPC1POLBRAB9ASMN1; SMN2
SCHEMBL23403617 0.82 PDE4D (0.44) PTGS1PTGS2SMN1; SMN2PDE4D
SCHEMBL23402562 0.82 PTGS1 (0.48) PTGS1PTGS2CCKARHPGDNPC1

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