SCHEMBL9114342

SCHEMBL9114342

C=CCc1cc(/C=C/C(=O)c2ccc(OCCC)cc2)cc(OCC)c1OCC

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
LMNA P02545 2/20 0.57
MAPT P10636 2/20 0.57
ALDH1A1 P00352 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CYP1A1 P04798 5/20 0.55
CYP1B1 Q16678 5/20 0.55
CYP1A2 P05177 4/20 0.55
CYP2D6 P10635 4/20 0.55
ABCG2 Q9UNQ0 3/20 0.55
PTPN1 P18031 5/20 0.54
MAOB P27338 4/20 0.49
MAOA P21397 1/20 0.49
EGFR P00533 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL9114344 1.00 KDM4E (0.57) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9111075 0.94 ABCG2 (0.57) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9113176 0.92 ABCG2 (0.55) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9113628 0.91 KDM4E (0.58) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9113637 0.91 KDM4E (0.58) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9112472 0.90 KDM4E (0.59) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9112046 0.90 KDM4E (0.59) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9115277 0.89 PTPN1 (0.56) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9111974 0.89 ABCG2 (0.58) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9111969 0.89 ABCG2 (0.58) 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