SCHEMBL23401352

SCHEMBL23401352

Cc1c(-c2ccccc2)nn(CC(C)C)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.40
FYN P06241 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CNR1 P21554 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
HSD17B10 Q99714 1/20 0.37
RECQL P46063 1/20 0.37
ALOX15 P16050 1/20 0.37
PSMB1 P20618 1/20 0.37
PSMB5 P28074 1/20 0.37
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
USP2 O75604 1/20 0.36
TNNI3 P19429 1/20 0.36
CRHBP P24387 1/20 0.36

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
SCHEMBL23403146 0.88 RAB9A (0.39) FYNALDH1A1SMN1; SMN2CNR1KMT2A
SCHEMBL23401201 0.85 GABRA1 (0.40) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL23402853 0.84 SMN1; SMN2 (0.41) CNR2FYNTRPV1SMN1; SMN2CNR1
SCHEMBL23398823 0.83 RECQL (0.42) CNR2FYNTRPV1ALDH1A1SMN1; SMN2
SCHEMBL23400338 0.82 MEN1 (0.49) ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10
SCHEMBL23402212 0.82 GABRA1 (0.38) ALDH1A1SMN1; SMN2KMT2AMEN1ALOX15
SCHEMBL23401963 0.82 CNR2 (0.41) CNR2FYNTRPV1ALDH1A1SMN1; SMN2
SCHEMBL23403288 0.82 CNR2 (0.38) CNR2FYNTRPV1ALDH1A1SMN1; SMN2
SCHEMBL23402896 0.81 CNR2 (0.40) CNR2FYNTRPV1ALDH1A1SMN1; SMN2
SCHEMBL23402137 0.81 CNR2 (0.37) CNR2FYNTRPV1ALDH1A1SMN1; 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