SCHEMBL23398398

SCHEMBL23398398

CCc1c(-c2ccc(C)cc2)c(O)nn1-c1ccc(OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
CCKAR P32238 3/20 0.43
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX5 P09917 2/20 0.41
CFTR P13569 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PDE4D Q08499 1/20 0.41
HTT P42858 1/20 0.40
CUL4A Q13619 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA4 P48058 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
SCHEMBL23400595 0.91 SMN1; SMN2 (0.40) PTGS2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL23401243 0.90 PTGS1 (0.42) PTGS1PTGS2CCKARHPGDNPC1
SCHEMBL23403399 0.88 RPA1 (0.47) HPGDNPC1POLBRAB9ASMN1; SMN2
SCHEMBL23400119 0.88 KDM4E (0.41) PTGS1PTGS2CCKARHPGDNPC1
SCHEMBL23402968 0.86 CCKAR (0.45) PTGS1PTGS2CCKARHPGDNPC1
SCHEMBL23402562 0.84 PTGS1 (0.48) PTGS1PTGS2CCKARHPGDNPC1
SCHEMBL23401336 0.84 NPC1 (0.42) NPC1RAB9ASMN1; SMN2KDM4EGRIA2
SCHEMBL23403101 0.84 NPC1 (0.43) HPGDNPC1POLBRAB9ASMN1; SMN2
SCHEMBL23403439 0.83 PTGS1 (0.47) PTGS1PTGS2CCKARHPGDNPC1
SCHEMBL23401977 0.82 TP53 (0.47) PTGS1PTGS2CCKARHPGDCFTR

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