SCHEMBL9115249

SCHEMBL9115249

C=CCc1cc(/C=C/C(=O)c2ccc(OCCC)cc2)cc(OC)c1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.66
LMNA P02545 2/20 0.66
MAPT P10636 2/20 0.66
ALDH1A1 P00352 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
EGFR P00533 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
KRAS P01116 4/20 0.60
PTPN1 P18031 7/20 0.56
TUBB4A P04350 1/20 0.55
TUBB P07437 1/20 0.55
TUBA3C P0DPH7 1/20 0.55
TUBA1B P68363 1/20 0.55
TUBA4A P68366 1/20 0.55
TUBB4B P68371 1/20 0.55
TUBB3 Q13509 1/20 0.55
TUBB2A Q13885 1/20 0.55
TUBB8 Q3ZCM7 1/20 0.55

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
SCHEMBL9112437 1.00 KDM4E (0.66) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9111826 0.90 KDM4E (0.69) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9114875 0.90 PTPN1 (0.67) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9114871 0.90 PTPN1 (0.67) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9111831 0.90 KDM4E (0.69) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9111075 0.90 ABCG2 (0.57) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9114410 0.89 KDM4E (0.60) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9114342 0.88 KDM4E (0.57) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9113176 0.88 ABCG2 (0.55) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9114344 0.88 KDM4E (0.57) 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 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