SCHEMBL9112356

SCHEMBL9112356

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.67
LMNA P02545 2/20 0.67
MAPT P10636 2/20 0.67
ALDH1A1 P00352 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
KRAS P01116 4/20 0.61
EGFR P00533 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
TUBB4A P04350 1/20 0.56
TUBB P07437 1/20 0.56
TUBA3C P0DPH7 1/20 0.56
TUBA1B P68363 1/20 0.56
TUBA4A P68366 1/20 0.56
TUBB4B P68371 1/20 0.56
TUBB3 Q13509 1/20 0.56
TUBB2A Q13885 1/20 0.56
TUBB8 Q3ZCM7 1/20 0.56
TUBA3E Q6PEY2 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
SCHEMBL9111669 0.89 ABCG2 (0.58) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9113041 0.88 KDM4E (0.58) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9112337 0.88 ABCG2 (0.56) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9113338 0.87 ABCG2 (0.63) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9112847 0.87 ALDH1A1 (0.63) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9111797 0.87 ABCG2 (0.55) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9113749 0.85 ABCG2 (0.53) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9111826 0.84 KDM4E (0.69) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9111831 0.84 KDM4E (0.69) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9114679 0.83 KDM4E (0.67) 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