SCHEMBL23401730

SCHEMBL23401730

CCCCc1c(CC(C)C)nn(-c2ccccc2C)c1O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.35
CDC25B P30305 1/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSP90AA1 P07900 2/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HSD11B1 P28845 1/20 0.32
DHODH Q02127 1/20 0.32
APLNR P35414 1/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.32
HSP90AB1 P08238 1/20 0.32

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
SCHEMBL23399427 0.94 KDM4E (0.40) KDM4EALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL23401420 0.93 KDM4E (0.37) KDM4EALDH1A1L3MBTL1POLBCDC25B
SCHEMBL23401628 0.90 KDM4E (0.41) KDM4EALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL23400955 0.89 ALDH1A1 (0.40) KDM4EALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL23402728 0.88 POLB (0.38) KDM4EALDH1A1L3MBTL1POLBCDC25B
SCHEMBL23400924 0.87 KDM4E (0.38) KDM4EALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL23400568 0.87 DHODH (0.38) KDM4EALDH1A1L3MBTL1POLBCDC25B
SCHEMBL23402633 0.87 POLB (0.38) KDM4EALDH1A1L3MBTL1POLBCDC25B
SCHEMBL23398608 0.85 POLB (0.37) KDM4EALDH1A1L3MBTL1POLBCDC25B
SCHEMBL23398377 0.84 KDM4E (0.39) KDM4EALDH1A1L3MBTL1MAPTSMN1; SMN2

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