SCHEMBL9113041

SCHEMBL9113041

CCCOc1ccc(C(=O)C=Cc2cc(OCC)c(OCC)c(C(C)(C)C)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
LMNA P02545 2/20 0.58
MAPT P10636 2/20 0.58
ALDH1A1 P00352 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CYP1A1 P04798 7/20 0.57
CYP1B1 Q16678 7/20 0.57
CYP1A2 P05177 4/20 0.56
CYP2D6 P10635 4/20 0.56
ABCG2 Q9UNQ0 3/20 0.56
MAOB P27338 8/20 0.51
MAOA P21397 1/20 0.50

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
SCHEMBL9111669 0.94 ABCG2 (0.58) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9112337 0.92 ABCG2 (0.56) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9112097 0.88 MAPT (0.56) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9112356 0.88 KDM4E (0.67) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9112114 0.87 ABCG2 (0.63) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9111797 0.87 ABCG2 (0.55) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9112362 0.86 ABCG2 (0.49) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9113749 0.85 ABCG2 (0.53) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9112472 0.84 KDM4E (0.59) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9112046 0.84 KDM4E (0.59) KDM4ELMNAMAPTALDH1A1SMN1; SMN2

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