SCHEMBL9113047

SCHEMBL9113047

CCCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.82
MAPT P10636 3/20 0.82
LMNA P02545 2/20 0.82
TNFRSF1A P19438 2/20 0.74
ABCG2 Q9UNQ0 5/20 0.73
MEN1 O00255 1/20 0.73
KMT2A Q03164 1/20 0.73
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
ALDH1A1 P00352 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
CYP1A1 P04798 2/20 0.62
CYP1B1 Q16678 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
DPP4 P27487 2/20 0.61
CXCL12 P48061 1/20 0.60
PDE4A P27815 1/20 0.60

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
SCHEMBL9113057 1.00 KDM4E (0.82) KDM4EMAPTLMNATNFRSF1AABCG2
SCHEMBL8148751 0.93 MAPT (0.78) KDM4EMAPTLMNATNFRSF1AABCG2
SCHEMBL8148755 0.93 MAPT (0.78) KDM4EMAPTLMNATNFRSF1AABCG2
SCHEMBL25209423 0.91 ABCG2 (0.68) KDM4EMAPTLMNATNFRSF1AABCG2
SCHEMBL30382999 0.91 ABCG2 (0.68) KDM4EMAPTLMNATNFRSF1AABCG2
SCHEMBL25225668 0.91 CXCL12 (0.76) KDM4EMAPTLMNAABCG2ALDH1A1
SCHEMBL25242320 0.91 CXCL12 (0.76) KDM4EMAPTLMNAABCG2ALDH1A1
SCHEMBL9115182 0.90 ABCG2 (0.70) KDM4EMAPTLMNATNFRSF1AABCG2
SCHEMBL29576289 0.89 MAPT (0.76) KDM4EMAPTLMNATNFRSF1AABCG2
SCHEMBL25202430 0.89 MAPT (0.69) KDM4EMAPTLMNATNFRSF1AABCG2

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 disclosed