SCHEMBL23401477

SCHEMBL23401477

CCCc1cc(=O)n(CC(C)C)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
KDM5B Q9UGL1 2/20 0.39
KDM5A P29375 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
MPO P05164 1/20 0.36
TPO P07202 1/20 0.36
TSHR P16473 1/20 0.36
LPO P22079 1/20 0.36
CYP2C19 P33261 1/20 0.36
TAS2R38 P59533 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HSD17B10 Q99714 2/20 0.35
RAB9A P51151 1/20 0.35
MAPK10 P53779 1/20 0.35
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 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
SCHEMBL23402464 0.90 DAO (0.41) ALDH1A1MEN1KMT2ADAOHCAR2
SCHEMBL23399923 0.85 ALDH1A1 (0.35) KDM4ETSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL23403670 0.81 DAO (0.43) KDM4ETSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL23400701 0.79 KMT2A (0.54) KDM4EKDM5BKDM5AKDM2BKDM4C
SCHEMBL23402299 0.76 L3MBTL1 (0.46) KDM4ETSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL23399151 0.74 ALDH1A1 (0.35) KDM4EKDM5BTSHRALDH1A1HPGD
SCHEMBL23400584 0.74 DAO (0.40) ALDH1A1MEN1KMT2AHTTGAA
SCHEMBL5975794 0.73 KDM4E (0.47) KDM4EKDM5BKDM5AKDM2BKDM4C
SCHEMBL23399030 0.73 DAO (0.44) KDM4EMEN1KMT2ADAOHCAR2
SCHEMBL23401702 0.73 DAO (0.42) MAPTMEN1KMT2APOLBGAA

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