SCHEMBL11491204

SCHEMBL11491204

CCCCCCCCCCCCCCCCNc1ccc(C(C)(C)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.46
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ PLK1 P53350 3/20 0.43
▸ PRSS1 P07477 6/20 0.42
▸ F2 P00734 2/20 0.42
▸ PRSS2 P07478 2/20 0.42
▸ PRSS3 P35030 2/20 0.42
▸ TMPRSS6 Q8IU80 2/20 0.42
▸ ST14 Q9Y5Y6 2/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MLYCD O95822 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KCNH3 Q9ULD8 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL22677533 0.86 HDAC3 (0.54) ABL1HDAC3HDAC1HDAC2PLK1
SCHEMBL5281377 0.86 HDAC3 (0.54) ABL1HDAC3HDAC1HDAC2PLK1
SCHEMBL10432350 0.86 ABL1 (0.49) ABL1HDAC3HDAC1HDAC2PLK1
SCHEMBL11935569 0.85 PRSS1 (0.45) HDAC3HDAC1PRSS1F2PRSS2
SCHEMBL16439908 0.83 ABL1 (0.59) ABL1PLK1PRSS1F2PRSS2
SCHEMBL3395174 0.83 ABL1 (0.59) ABL1PLK1PRSS1F2PRSS2
SCHEMBL2720066 0.83 ABL1 (0.59) ABL1PLK1PRSS1F2PRSS2
SCHEMBL9506930 0.83 ABL1 (0.59) ABL1PLK1PRSS1F2PRSS2
SCHEMBL11476522 0.83 ABL1 (0.59) ABL1PLK1PRSS1F2PRSS2
SCHEMBL187892 0.83 ABL1 (0.59) ABL1PLK1PRSS1F2PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4198522-A HYPOLIPIDEMIC ACND ANTI-ATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1980-04-15 — — US disclosed
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