SCHEMBL7179932

SCHEMBL7179932

CC(CCCC(=O)O)COCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.52
▸ HDAC3 O15379 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ HTT P42858 2/20 0.46
▸ SLC1A1 P43005 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP14 P50281 1/20 0.44

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
SCHEMBL5870182 0.91 FOLH1 (0.58) FOLH1HTTSLC1A1CA1CA2
SCHEMBL11081443 0.90 FOLH1 (0.45) FOLH1HTTSLC1A1MMP9MMP14
SCHEMBL19854872 0.87 LMNA (0.47) FOLH1HTTSLC1A1MMP9MMP14
SCHEMBL7382177 0.87 FOLH1 (0.48) FOLH1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL9184811 0.83 CA1 (0.57) FOLH1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL27694647 0.83 CA1 (0.47) HTTSLC1A1CA1CA2CA7
SCHEMBL6969891 0.82 FOLH1 (0.53) FOLH1HTT
SCHEMBL1769538 0.82 FOLH1 (0.52) FOLH1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL11076000 0.82 FOLH1 (0.39) FOLH1SMN1; SMN2HTTSLC1A1MMP9
SCHEMBL27523288 0.81 SLC1A1 (0.50) FOLH1SLC1A1MMP9MMP14CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289558-A2 COMBINATIONS OF AN ENDOTHELIN RECEPTOR ANTAGONIST AND AN ANTIEPILEPTIC COMPOUND HAVING PAIN ALLEVIATING PROPERTIES OR ANALGESIC WARNER-LAMBERT COMPANY LLC (US) 2003-03-12 — — EP disclosed
WO-2001091736-A2 COMBINATIONS OF AN ENDOTHELIN RECEPTOR ANTAGONIST AND AN ANTIEPILEPTIC COMPOUND HAVING PAIN ALLEVIATING PROPERTIES OR ANALGESIC WARNER-LAMBERT COMPANY (US) 2001-12-06 — — WO disclosed
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