SCHEMBL7304302

SCHEMBL7304302

O=C(COP(=O)(c1ccccc1)c1ccc(-c2ccccc2)cc1)COP(=O)(c1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ ACP3 P15309 2/20 0.41
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HNF4A P41235 1/20 0.40
▸ ACMSD Q8TDX5 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ USP2 O75604 2/20 0.39
▸ ABCC4 O15439 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ CASP3 P42574 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 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
SCHEMBL3893770 0.91 MEN1 (0.55) KMT2AMEN1USP2GAATSHR
SCHEMBL7303095 0.85 KMT2A (0.46) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL7308253 0.82 ACP3 (0.47) KMT2AMEN1ACP3NPC1RAB9A
SCHEMBL7308516 0.81 SMN1; SMN2 (0.42) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL27510315 0.79 MEN1 (0.47) KMT2AMEN1USP2GAACASP3
SCHEMBL7308021 0.75 LMNA (0.48) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL28441070 0.74 POLB (0.59) KMT2AMEN1SMN1; SMN2HTTUSP2
SCHEMBL4378891 0.71 MEN1 (0.76) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL9001586 0.70 LMNA (0.54) KMT2AMEN1ACP3NPC1RAB9A
SCHEMBL19448976 0.70 LMNA (0.54) KMT2AMEN1ACP3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0644197-B1 Peptidic phosphinyloxymethyl ketones as interleukin-1beta-converting enzyme inhibitors VERTEX PHARMA (US) 1998-09-09 — — EP claimed
EP-0644197-A1 Peptidic phosphinyloxymethyl ketones as interleukin-1beta-converting enzyme inhibitors STERLING WINTHROP INC. (US) 1995-03-22 — — EP claimed
US-5843905-A Peptidic phosphinyloxymethyl ketones as interleukin-1β-converting enzyme inhibitors VERTEX PHARMACEUTICALS, INCORPORATED (US) 1998-12-01 — — US disclosed
EP-0644197-B1 Peptidic phosphinyloxymethyl ketones as interleukin-1beta-converting enzyme inhibitors VERTEX PHARMA (US) 1998-09-09 — — EP disclosed
EP-0644197-A1 Peptidic phosphinyloxymethyl ketones as interleukin-1beta-converting enzyme inhibitors STERLING WINTHROP INC. (US) 1995-03-22 — — EP disclosed
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