SCHEMBL9025993

SCHEMBL9025993

O=c1occcc1SCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 7/20 0.52
▸ RAB9A P51151 6/20 0.48
▸ ALDH1A1 P00352 6/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ KMT2A Q03164 5/20 0.45
▸ MAPT P10636 4/20 0.45
▸ HSD17B10 Q99714 4/20 0.45
▸ ALOX15 P16050 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ HTT P42858 3/20 0.45
▸ RECQL P46063 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ L3MBTL1 Q9Y468 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ USP2 O75604 1/20 0.43

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
SCHEMBL8661882 0.84 PTGS2 (0.49) POLBRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL8536276 0.78 S100A4 (0.44) POLBRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL28102627 0.73 ALDH1A1 (0.49) POLBRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL430583 0.72 POLB (0.63) POLBRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL28610532 0.72 CA1 (0.44) POLBRAB9AALDH1A1TP53KMT2A
SCHEMBL27429798 0.72 CTRC (0.53) RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL7450692 0.71 DAO (0.45) POLBRAB9AALDH1A1NPC1KMT2A
SCHEMBL9027340 0.71 ELANE (0.43) POLBRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL7820173 0.70 NR1H2 (0.45) RAB9AALDH1A1NPC1SMN1; SMN2TP53
SCHEMBL9321285 0.70 MAOA (0.50) POLBRAB9ANPC1KMT2AMAPT

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
EP-0729463-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & COMPANY (US) 1996-09-04 — — EP claimed
EP-0729464-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 — — EP disclosed
EP-0729463-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & COMPANY (US) 1996-09-04 — — EP disclosed
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