SCHEMBL9110933

SCHEMBL9110933

CCCc1c(OC)cc(/C=C/C(=O)c2ccc(OC)cc2)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.70
TNFRSF1A P19438 4/20 0.66
CXCL12 P48061 1/20 0.63
MAPT P10636 5/20 0.62
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 2/20 0.62
LMNA P02545 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
MCL1 Q07820 1/20 0.62
F3 P13726 2/20 0.61
MAOB P27338 4/20 0.59
ABCG2 Q9UNQ0 2/20 0.59
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
NPC1 O15118 1/20 0.58
HSPD1 P10809 1/20 0.57
HSPE1 P61604 1/20 0.57
CYP1B1 Q16678 1/20 0.57
XDH P47989 2/20 0.56
P4HB P07237 1/20 0.56

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
SCHEMBL9110943 1.00 KRAS (0.70) KRASTNFRSF1ACXCL12MAPTALDH1A1
SCHEMBL9110751 0.91 MAPT (0.65) KRASTNFRSF1ACXCL12MAPTALDH1A1
SCHEMBL9110743 0.91 MAPT (0.65) KRASTNFRSF1ACXCL12MAPTALDH1A1
SCHEMBL9111042 0.91 MAPT (0.76) KRASTNFRSF1AMAPTALDH1A1KDM4E
SCHEMBL9111036 0.91 MAPT (0.76) KRASTNFRSF1AMAPTALDH1A1KDM4E
SCHEMBL9113708 0.90 KDM4E (0.64) KRASTNFRSF1ACXCL12MAPTALDH1A1
SCHEMBL9113711 0.90 KDM4E (0.64) KRASTNFRSF1ACXCL12MAPTALDH1A1
SCHEMBL9112177 0.90 KRAS (0.60) KRASTNFRSF1ACXCL12MAPTALDH1A1
SCHEMBL9115814 0.90 KRAS (0.60) KRASTNFRSF1ACXCL12MAPTALDH1A1
SCHEMBL9113951 0.90 CA1 (0.59) KRASCXCL12MAPTALDH1A1KDM4E

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-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO claimed