SCHEMBL4762071

SCHEMBL4762071

COc1cccc(-c2c(OC(=O)NC3CCOCC3)[nH]c3ccc(S(=O)(=O)Nc4ccc(C(C)(C)C)cc4)cc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
MAPT P10636 5/20 0.44
TP53 P04637 5/20 0.44
POLB P06746 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BACE1 P56817 2/20 0.40
LMNA P02545 5/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PLAU P00749 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
HTT P42858 1/20 0.38
RORA P35398 1/20 0.38
RORC P51449 1/20 0.38
NR1H2 P55055 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL3947328 0.96 HSD17B10 (0.44) HSD17B10MAPTTP53POLBSMN1; SMN2
SCHEMBL4762404 0.91 BRD4 (0.42) HSD17B10MAPTTP53POLBSMN1; SMN2
SCHEMBL4792215 0.91 DYRK1A (0.40) HSD17B10MAPTTP53POLBSMN1; SMN2
SCHEMBL3944372 0.87 BRD4 (0.44) HSD17B10MAPTTP53POLBSMN1; SMN2
SCHEMBL3947584 0.87 BRD4 (0.48) MAPTPOLBSMN1; SMN2LMNAALDH1A1
SCHEMBL3951262 0.86 BRD4 (0.43) HSD17B10MAPTTP53POLBSMN1; SMN2
SCHEMBL4762569 0.84 ALDH1A1 (0.55) MAPTPOLBSMN1; SMN2BACE1LMNA
SCHEMBL3945495 0.84 HSD17B10 (0.47) HSD17B10MAPTTP53POLBSMN1; SMN2
SCHEMBL3950597 0.83 BRD4 (0.42) POLBSMN1; SMN2LMNAALDH1A1CYP1A2
SCHEMBL3941796 0.83 BRD4 (0.43) MAPTPOLBSMN1; SMN2BACE1LMNA

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-2001843-A2 SOLUBLE ADENYLATE CYCLASE INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2008-12-17 EP claimed
WO-2007107384-A2 SOLUBLE ADENYLATE CYCLASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-09-27 WO claimed
EP-2001843-A2 SOLUBLE ADENYLATE CYCLASE INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2008-12-17 EP disclosed
WO-2007107384-A2 SOLUBLE ADENYLATE CYCLASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-09-27 WO disclosed