SCHEMBL23399231

SCHEMBL23399231

Cc1ccccc1-c1c[nH]n(C(C)C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
VHL P40337 1/20 0.38
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
NOTUM Q6P988 1/20 0.35
HTR7 P34969 1/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
TDP2 O95551 2/20 0.35
CASP3 P42574 1/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
APAF1 O14727 1/20 0.34
PKM P14618 1/20 0.34
MAOB P27338 1/20 0.34
HTT P42858 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
SCHEMBL23403075 0.79 MEN1 (0.44) BRD4VHLMAPTRAB9ANPC1
SCHEMBL23402681 0.77 BRD4 (0.50) BRD4VHLMAPTTP53NOTUM
SCHEMBL23402050 0.76 ALDH1A1 (0.46) BRD4VHLMAPTTP53ALDH1A1
SCHEMBL23402629 0.75 MEN1 (0.36) BRD4VHLNPC1MEN1MAOB
SCHEMBL23400486 0.75 BRD4 (0.44) BRD4VHLMAPTTP53NOTUM
SCHEMBL23401887 0.73 GAA (0.56) BRD4VHLMAPTTP53RAB9A
SCHEMBL23403074 0.73 VHL (0.47) BRD4VHLMAPTTP53HTR7
SCHEMBL23399861 0.73 BRD4 (0.42) BRD4VHLMAPTTP53NOTUM
SCHEMBL23399448 0.73 ALDH1A1 (0.40) MAPTNOTUMRAB9ANPC1TDP2
SCHEMBL23401401 0.72 RAB9A (0.40) BRD4MAPTTP53NOTUMRAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108366565-A Novel plant protection compositions and their use 弗莱克西格专利有限责任公司 2018-08-03 CN claimed
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed