SCHEMBL9484584

SCHEMBL9484584

CC(C)(C)OC(=O)N1CCN(CC(Cc2ccc(OCc3ccccc3)cc2)NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.57
P2RX7 Q99572 8/20 0.56
BACE1 P56817 2/20 0.52
ITGB3 P05106 2/20 0.50
ITGA2B P08514 2/20 0.50
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SYK P43405 1/20 0.47

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
SCHEMBL9483370 0.83 MAPT (0.56) ITGB3ITGA2BPOLB
SCHEMBL7425378 0.83 GAA (0.53) YAP1
SCHEMBL9484259 0.81 ATM (0.46) P2RX7BACE1POLBSYK
SCHEMBL5859750 0.80 P2RX7 (0.55) YAP1P2RX7BACE1SYK
SCHEMBL20425431 0.80 L3MBTL1 (0.55) YAP1POLBL3MBTL1
SCHEMBL19982080 0.80 YAP1 (0.76) YAP1P2RX7
SCHEMBL11338761 0.80 FAAH (0.64) YAP1
SCHEMBL23853721 0.79 BACE1 (0.56) P2RX7BACE1L3MBTL1SYK
SCHEMBL23853723 0.79 BACE1 (0.56) P2RX7BACE1L3MBTL1SYK
SCHEMBL272157 0.79 ATM (0.64) SYK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5245034-A Compound having vessel smooth muscle relaxation activity Hidaka, Kiroyoshi (JP) 1993-09-14 US disclosed
US-5216150-A Muscle relaxant; enzyme inhibitor and platelet aggutination inhibitor Hidaka, Hiroyoshi (JP) 1993-06-01 US disclosed
US-5081246-A Isoquinolino sulfonamino derivatives Hidaka, Hiroyoshi (JP) 1992-01-14 US disclosed