SCHEMBL7804176

SCHEMBL7804176

CCCc1ccc(OC)c(/C=C/C(=O)c2ccc(OCOC(=O)C(C)(C)C)cc2)c1OC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ABCG2 Q9UNQ0 5/20 0.42
DPP4 P27487 5/20 0.41
PTPN1 P18031 4/20 0.41
MAOB P27338 1/20 0.40
KRAS P01116 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ABCC1 P33527 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39

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
SCHEMBL7804178 1.00 KDM4E (0.46) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL7179733 0.89 MAOB (0.38) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL7179736 0.89 MAOB (0.38) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL7186669 0.89 MAOB (0.42) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL7186673 0.89 MAOB (0.42) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL7184967 0.88 ABCG2 (0.45) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL7184971 0.88 ABCG2 (0.45) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL7192556 0.88 ABCG2 (0.43) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL7180091 0.88 PTPN1 (0.50) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL7180086 0.88 PTPN1 (0.50) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0634927-B1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA LICA PHARMACEUTICALS AS (DK) 2001-07-04 EP disclosed
US-5985935-A PARASITICIDES OR BACTERICIDES STATENS SERUMINSTITUT (DK) 1999-11-16 US disclosed
EP-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 EP disclosed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 WO disclosed