SCHEMBL23399010

SCHEMBL23399010

CCc1c(O)nn(-c2ccc(C)cc2)c1CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
TP53 P04637 3/20 0.37
RAB9A P51151 4/20 0.35
LMNA P02545 3/20 0.35
NPC1 O15118 2/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CDK8 P49336 1/20 0.35
ESR1 P03372 1/20 0.35
RXFP1 Q9HBX9 2/20 0.34
PRNP P04156 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
SCHEMBL23400171 0.89 TP53 (0.40) ALDH1A1SMN1; SMN2TP53RAB9ALMNA
SCHEMBL23399917 0.89 TP53 (0.43) ALDH1A1SMN1; SMN2TP53RAB9ALMNA
SCHEMBL23402663 0.88 TP53 (0.36) ALDH1A1SMN1; SMN2TP53RAB9ALMNA
SCHEMBL23403014 0.86 KMT2A (0.36) ALDH1A1SMN1; SMN2TP53RAB9ALMNA
SCHEMBL23403031 0.86 CACNA1H (0.34) ALDH1A1SMN1; SMN2TP53RAB9ALMNA
SCHEMBL23399889 0.86 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2TP53RAB9ALMNA
SCHEMBL23400799 0.85 NR4A3 (0.46) ALDH1A1SMN1; SMN2RAB9ALMNANPC1
SCHEMBL23400167 0.85 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TP53RAB9ALMNA
SCHEMBL23401766 0.85 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2TP53RAB9ALMNA
SCHEMBL23401376 0.83 PDE4D (0.43) ALDH1A1SMN1; SMN2TP53RAB9ALMNA

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