SCHEMBL11611744

SCHEMBL11611744

CC(=O)Oc1c(C)c(C)nn1CCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 1/20 0.43
▸ SORT1 Q99523 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ CASR P41180 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
SCHEMBL11615729 0.77 TP53 (0.45) POLBGAAKMT2AMEN1SMN1; SMN2
SCHEMBL11614807 0.74 PTGDR2 (0.42) GAAKMT2AMEN1MAPT
SCHEMBL11619251 0.72 SLC22A12 (0.51) POLBKMT2ALMNAMAPTALDH1A1
SCHEMBL1195231 0.69 PTGDR2 (0.62) GAA
SCHEMBL11616262 0.69 PTGDR2 (0.47) POLBKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL11614313 0.69 NPC1 (0.44) GAAKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL11611800 0.69 PTGDR2 (0.45) GAAKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL27739429 0.68 ALDH1A1 (0.49) GRNSORT1POLBGAAKMT2A
SCHEMBL7600100 0.68 BACE1 (0.36) GAAKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL717987 0.68 NPC1 (0.65) POLBGAAKMT2APTGS2SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4117145-A DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US disclosed
US-4117143-A USED AS ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US disclosed
US-4113957-A DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-09-12 — — US disclosed
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