SCHEMBL10928518

SCHEMBL10928518

O=C(c1ccccc1)c1cc(CCCCO)on1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ HDAC6 Q9UBN7 7/20 0.48
▸ HDAC1 Q13547 5/20 0.47
▸ HDAC3 O15379 4/20 0.47
▸ HDAC2 Q92769 3/20 0.47
▸ HDAC10 Q969S8 2/20 0.47
▸ POLB P06746 1/20 0.45
▸ HIF1A Q16665 1/20 0.43
▸ MAPK1 P28482 2/20 0.40
▸ PPARA Q07869 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
SCHEMBL10924712 0.89 RAB9A (0.55) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL4029179 0.87 PPARA (0.52) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL10924714 0.86 HDAC6 (0.44) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL10928085 0.86 RAB9A (0.47) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL4033544 0.86 PPARA (0.54) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL4024354 0.85 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL4030511 0.82 SMN1; SMN2 (0.60) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL17288448 0.80 PPARA (0.46) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL17288997 0.80 PPARA (0.46) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL10925177 0.78 KMT2A (0.57) RAB9ASMN1; SMN2NPC1KMT2AMEN1

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
US-4562187-A HYPOTENSIVE AGENTS, ANTIINFLAMMATORY, AGENTS, AND ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-12-31 — — US claimed
EP-0189771-A3 (ISOXAZOL-3-YL)ARYLMETHANONES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1986-10-08 — — EP disclosed
EP-0189771-A2 (Isoxazol-3-yl)arylmethanones, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1986-08-06 — — EP disclosed
US-4562187-A HYPOTENSIVE AGENTS, ANTIINFLAMMATORY, AGENTS, AND ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-12-31 — — US disclosed
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