SCHEMBL10924399

SCHEMBL10924399

O=C(c1ccc(F)cc1)c1cc(CCO)on1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.46
▸ RAB9A P51151 6/20 0.43
▸ LTA4H P09960 1/20 0.41
▸ SMN1; SMN2 Q16637 6/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ S1PR1 P21453 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HDAC6 Q9UBN7 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37

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
SCHEMBL10927373 0.85 RAB9A (0.50) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
SCHEMBL10925827 0.85 SMN1; SMN2 (0.43) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
SCHEMBL10924712 0.84 RAB9A (0.55) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
SCHEMBL10925251 0.83 THRB (0.44) THRBRAB9ALTA4HSMN1; SMN2NPC1
SCHEMBL10932515 0.82 THRB (0.43) THRBRAB9ALTA4HSMN1; SMN2NPC1
SCHEMBL10926206 0.81 ALDH1A1 (0.43) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
SCHEMBL10923767 0.79 THRB (0.44) THRBRAB9ALTA4HSMN1; SMN2NPC1
SCHEMBL10927399 0.78 TSHR (0.39) THRBSMN1; SMN2LMNATSHR
SCHEMBL10928085 0.75 RAB9A (0.47) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
SCHEMBL10924714 0.75 HDAC6 (0.44) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1

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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