SCHEMBL24311554

SCHEMBL24311554

CCCCCCCC(=O)c1ccc2c(c1)c1ccccc1n2CC(CC)CCCCC1CNC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.44
CNR1 P21554 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.39
SCARB1 Q8WTV0 1/20 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
SCHEMBL31456170 0.81 CNR2 (0.48) CNR2CNR1ALDH1A1HPGDKDM4E
SCHEMBL22776123 0.76 CNR2 (0.41) CNR2CNR1NPC1
SCHEMBL25517866 0.76 CNR2 (0.48) CNR2CNR1ALDH1A1HPGDKDM4E
SCHEMBL25515578 0.76 HSD17B3 (0.49) CNR2NPC1
SCHEMBL25515586 0.76 HSD17B3 (0.49) CNR2NPC1
SCHEMBL25515681 0.74 HSD17B3 (0.47) CNR2ALDH1A1HPGDKDM4ENPC1
SCHEMBL1978510 0.74 CNR2 (0.68) CNR2CNR1ALDH1A1HPGDKDM4E
SCHEMBL28946332 0.74 KDM4E (0.54) CNR2CNR1ALDH1A1HPGDKDM4E
SCHEMBL24494686 0.74 CNR2 (0.61) CNR2CNR1ALDH1A1HPGDKDM4E
SCHEMBL25517133 0.73 CNR2 (0.48) CNR2CNR1

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
US-20220121113-A1 OXIME ESTER PHOTOINITIATORS HAVING A SPECIAL AROYL CHROMOPHORE BASF SE (DE) 2022-04-21 US disclosed