SCHEMBL9848618

SCHEMBL9848618

CC(C)(C)Oc1ccc(C[C@H](NCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 2/20 0.49
▸ ITGA4 P13612 1/20 0.48
▸ ITGB7 P26010 1/20 0.48
▸ ABCB1 P08183 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ ACE P12821 2/20 0.46
▸ MME P08473 1/20 0.46
▸ ACE2 Q9BYF1 1/20 0.46
▸ PPARG P37231 2/20 0.46
▸ CTSL P07711 1/20 0.45
▸ CTSK P43235 1/20 0.45
▸ ACACB O00763 1/20 0.45
▸ PPARA Q07869 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ ITGB3 P05106 1/20 0.45
▸ ITGA2B P08514 1/20 0.45
▸ PDCD1 Q15116 2/20 0.45
▸ CD274 Q9NZQ7 2/20 0.45

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
SCHEMBL8751953 0.96 ACACB (0.48) FPR2ITGA4ITGB7ABCB1HDAC8
SCHEMBL8751950 0.96 ACACB (0.48) FPR2ITGA4ITGB7ABCB1HDAC8
SCHEMBL30872672 0.85 FPR2 (0.62) FPR2HDAC8KMT2APPARGPPARA
SCHEMBL29228692 0.85 FPR2 (0.62) FPR2HDAC8KMT2APPARGPPARA
SCHEMBL73955 0.83 MME (0.56) MMEALDH1A1
SCHEMBL497336 0.83 MME (0.56) MMEALDH1A1
SCHEMBL11581853 0.83 MME (0.56) MMEALDH1A1
SCHEMBL27711461 0.82 MEN1 (0.55) ITGA4ITGB7KMT2AACEPPARG
SCHEMBL13660693 0.82 ACACB (0.50) FPR2ABCB1KMT2AACEMME
SCHEMBL31037192 0.82 ACACB (0.50) FPR2ABCB1KMT2AACEMME

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
EP-0438873-A1 Inhibitor of ribonucleotide reductase of herpes viruses MERCK & CO. INC. (US) 1991-07-31 — — EP disclosed
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