SCHEMBL11415936

SCHEMBL11415936

COc1ccc(C2CC2C(=O)NO)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.54
▸ TRPM5 Q9NZQ8 2/20 0.52
▸ APP P05067 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ PDE4B Q07343 4/20 0.49
▸ PDE4A P27815 3/20 0.49
▸ PDE4C Q08493 3/20 0.49
▸ PDE4D Q08499 3/20 0.49
▸ LTB4R Q15722 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ NR3C1 P04150 2/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TUBB4A P04350 2/20 0.43
▸ TUBB P07437 2/20 0.43
▸ TUBA3C P0DPH7 2/20 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
SCHEMBL2952559 0.83 APP (0.55) TRPM5APPPDE4BPDE4APDE4C
SCHEMBL13001927 0.83 PDE4B (0.52) TRPM5APPPDE4BPDE4APDE4C
SCHEMBL7002288 0.83 APP (0.55) TRPM5APPPDE4BPDE4APDE4C
SCHEMBL7002284 0.83 APP (0.55) TRPM5APPPDE4BPDE4APDE4C
SCHEMBL21024669 0.82 LTB4R (0.57) TRPM5APPKDM4EALDH1A1LTB4R
SCHEMBL2950480 0.78 LTB4R (0.61) TRPM5APPKDM4EALDH1A1PDE4D
SCHEMBL15805111 0.77 PDE4B (0.62) APPKDM4EALDH1A1PDE4BPDE4A
SCHEMBL15799414 0.77 PDE4B (0.62) APPKDM4EALDH1A1PDE4BPDE4A
SCHEMBL17259138 0.77 PDE4B (0.62) APPKDM4EALDH1A1PDE4BPDE4A
SCHEMBL6318372 0.77 APP (0.59) TRPM5APPPDE4BPDE4APDE4C

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
US-4188338-A ANTICOAGULANTS AKZONA INCORPORATED (US) 1980-02-12 — — US claimed
US-4188338-A ANTICOAGULANTS AKZONA INCORPORATED (US) 1980-02-12 — — US disclosed
US-4173652-A ANTICOAGULANTS AKZONA INCORPORATED (US) 1979-11-06 — — US disclosed
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