SCHEMBL31036840

SCHEMBL31036840

CCCCCCCCCCCCOC(c1ccccc1)c1oc2ccc3c(C)cc(=O)oc3c2c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.48
KDM4E B2RXH2 6/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 2/20 0.44
POLB P06746 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GLA P06280 1/20 0.42
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
IGLV6-57 P01721 3/20 0.39
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL31036841 0.81 NFKB1 (0.52) NFKB1KDM4EHPGDHSD17B10MAPK1
SCHEMBL31036843 0.78 NFKB1 (0.50) NFKB1KDM4EHPGDHSD17B10MAPK1
SCHEMBL10038198 0.77 KDM4E (0.57) NFKB1KDM4EHPGDHSD17B10MAPK1
SCHEMBL12119331 0.74 NFKB1 (0.46) NFKB1KDM4EHPGDHSD17B10MAPK1
SCHEMBL10038287 0.73 NFKB1 (0.64) NFKB1KDM4EHPGDMAPK1MAPT
SCHEMBL10038284 0.73 NFKB1 (0.64) NFKB1KDM4EHPGDMAPK1MAPT
SCHEMBL10038212 0.73 NFKB1 (0.64) NFKB1KDM4EHPGDMAPK1MAPT
SCHEMBL10038285 0.73 NFKB1 (0.64) NFKB1KDM4EHPGDMAPK1MAPT
SCHEMBL10038148 0.73 NFKB1 (0.53) NFKB1KDM4EHPGDHSD17B10MAPK1
SCHEMBL10038099 0.72 NFKB1 (0.65) NFKB1KDM4EHPGDMAPK1MAPT

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-2024162299-A1 FURANOCOUMARIN DERIVATIVE AND USE THEREOF 静岡県公立大学法人 2024-08-08 WO disclosed