SCHEMBL23402186

SCHEMBL23402186

CCCn1[nH]cc(-c2ccccc2C)c1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
BRD4 O60885 1/20 0.44
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
KDM5A P29375 1/20 0.38
HSD17B10 Q99714 1/20 0.36
VHL P40337 1/20 0.36
TDP2 O95551 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
PKM P14618 1/20 0.35
MAPK10 P53779 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL23399580 0.91 BRD4 (0.42) ALDH1A1BRD4KDM4EGAAKDM5A
SCHEMBL23399861 0.87 BRD4 (0.42) ALDH1A1BRD4KDM4EKDM5AHSD17B10
SCHEMBL23398866 0.81 ALDH1A1 (0.47) ALDH1A1BRD4KDM4EGAAHSD17B10
SCHEMBL23402050 0.80 ALDH1A1 (0.46) ALDH1A1BRD4KDM5AHSD17B10VHL
SCHEMBL23402681 0.78 BRD4 (0.50) ALDH1A1BRD4KDM4EKDM5AVHL
SCHEMBL23398476 0.76 ALDH1A1 (0.46) ALDH1A1BRD4KDM4EGAATP53
SCHEMBL23401059 0.76 ALDH1A1 (0.61) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL23402689 0.75 ALDH1A1 (0.42) ALDH1A1KDM4EGAATDP2TP53
SCHEMBL23403409 0.74 BRD4 (0.40) ALDH1A1BRD4KDM4EGAAHSD17B10
SCHEMBL23400486 0.72 BRD4 (0.44) ALDH1A1BRD4GAAKDM5AVHL

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