SCHEMBL23399441

SCHEMBL23399441

CCc1cc(O)n(-c2ccc(C)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 3/20 0.40
PTGS2 P35354 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
TP53 P04637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL23398638 0.87 ALDH1A1 (0.45) ALDH1A1POLBPTGS2L3MBTL1CA1
SCHEMBL9966162 0.86 LMNA (0.45) KDM4CALDH1A1POLBL3MBTL1SMN1; SMN2
SCHEMBL23401415 0.84 CNR1 (0.49) ALDH1A1POLBPTGS2L3MBTL1CA1
SCHEMBL23398671 0.83 ALDH1A1 (0.45) ALDH1A1POLBCA1CA2SMN1; SMN2
SCHEMBL23399975 0.83 ALDH1A1 (0.47) ALDH1A1L3MBTL1TDP1TP53KMT2A
SCHEMBL23398453 0.82 CCKAR (0.41) ALDH1A1POLBPTGS2L3MBTL1CA1
SCHEMBL2474225 0.79 RAB9A (0.58) ALDH1A1POLBPTGS2L3MBTL1CA1
SCHEMBL11441588 0.78 CYP1A2 (0.47) ALDH1A1POLBSMN1; SMN2NPSR1TP53
SCHEMBL14728095 0.78 PTGS2 (0.58) KDM5AKDM4CKDM5BPTGS2CA1
SCHEMBL23402247 0.77 ALDH1A1 (0.42) ALDH1A1KMT2AMAPTMAPK14MAPK13

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