SCHEMBL23398608

SCHEMBL23398608

CCCCc1nn(-c2ccccc2C)c(O)c1CCC

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HSP90AA1 P07900 1/20 0.35
HSD11B1 P28845 1/20 0.34
CDC25B P30305 1/20 0.34
KDM4E B2RXH2 3/20 0.34
THRB P10828 1/20 0.33

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
SCHEMBL23402728 0.97 POLB (0.38) POLBL3MBTL1MAPTSMN1; SMN2ALDH1A1
SCHEMBL23402633 0.96 POLB (0.38) POLBL3MBTL1MAPTSMN1; SMN2ALDH1A1
SCHEMBL23400711 0.93 POLB (0.36) POLBL3MBTL1MAPTSMN1; SMN2ALDH1A1
SCHEMBL23402731 0.93 ALDH1A1 (0.38) MAPTALDH1A1HSD11B1KDM4ETHRB
SCHEMBL23400568 0.90 DHODH (0.38) POLBL3MBTL1MAPTSMN1; SMN2ALDH1A1
SCHEMBL23400354 0.89 DHODH (0.39) MAPTALDH1A1HSD11B1THRB
SCHEMBL23401420 0.89 KDM4E (0.37) POLBL3MBTL1MAPTSMN1; SMN2ALDH1A1
SCHEMBL23398704 0.87 USP2 (0.37) POLBMAPTALDH1A1HSD11B1KDM4E
SCHEMBL23401082 0.87 MAPT (0.36) POLBL3MBTL1MAPTSMN1; SMN2ALDH1A1
SCHEMBL23401333 0.84 KMT2A (0.41) MAPTALDH1A1HSD11B1THRB

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