SCHEMBL23801769

SCHEMBL23801769

CCCCCC/C(=N\OC)C(=O)c1ccc2c(c1)c1cc(C(=O)c3ccc(C)cc3)ccc1n2CC(CC)CCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.40
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CNR1 P21554 2/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PSEN1 P49768 2/20 0.30
PSEN2 P49810 2/20 0.30
APH1B Q8WW43 2/20 0.30
NCSTN Q92542 2/20 0.30
APH1A Q96BI3 2/20 0.30
PSENEN Q9NZ42 2/20 0.30
TUBB4A P04350 1/20 0.30

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
SCHEMBL23802471 0.92 CNR2 (0.40) CNR2ALDH1A1GAATDP1CNR1
SCHEMBL23801754 0.84 CNR2 (0.38) CNR2NPC1ALDH1A1GAATSHR
SCHEMBL23801317 0.84 CNR2 (0.39) CNR2NPC1ALDH1A1TSHRMAPK1
SCHEMBL25515585 0.83 CNR2 (0.42) CNR2NPC1ALDH1A1CNR1HPGD
SCHEMBL25522593 0.83 TP53 (0.36) CNR2TDP1CNR1TP53SMN1; SMN2
SCHEMBL25515673 0.83 CNR2 (0.37) CNR2NPC1ALDH1A1GAATSHR
SCHEMBL25515402 0.83 CNR2 (0.39) CNR2NPC1ALDH1A1GAATSHR
SCHEMBL23801749 0.83 CNR2 (0.39) CNR2NPC1ALDH1A1GAATSHR
SCHEMBL23801340 0.82 CNR2 (0.42) CNR2NPC1ALDH1A1CNR1HPGD
SCHEMBL25515679 0.82 CNR2 (0.40) CNR2NPC1ALDH1A1HPGDKDM4E

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
WO-2021175855-A1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2021-09-10 WO disclosed