SCHEMBL31530464

SCHEMBL31530464

CN[C@@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 2/20 0.46
▸ CTSL P07711 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ MMP1 P03956 6/20 0.41
▸ CAPN1 P07384 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ MMP3 P08254 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ PLG P00747 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL19200609 0.85 MMP1 (0.51) MMP1MMP3
SCHEMBL17959437 0.81 CTSL (0.65) CTSLCTSKCAPN1ALDH1A1CTSB
SCHEMBL17959439 0.81 CTSL (0.65) CTSLCTSKCAPN1ALDH1A1CTSB
SCHEMBL30064521 0.79 ABCB1 (0.52) ACACBCTSLCTSKABCB1CTSB
SCHEMBL14007738 0.78 ACACB (0.46) ACACBCTSLCTSKMMP1ABCB1
SCHEMBL31037192 0.77 ACACB (0.50) ACACBCTSLCTSKABCB1KMT2A
SCHEMBL13660693 0.77 ACACB (0.50) ACACBCTSLCTSKABCB1KMT2A
SCHEMBL2034306 0.77 ACACB (0.50) ACACBCTSLCTSKABCB1KMT2A
SCHEMBL30645092 0.77 CTSK (0.61) CTSLCTSKCAPN1TSHRALDH1A1
SCHEMBL12706395 0.77 CTSS (0.52) CTSLCTSKMMP1CTSB

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
WO-2025047793-A1 NOVEL COMPOUND HAVING ACTIVITY-ENHANCING EFFECT ON ANTIFUNGAL DRUGS, AND METHOD FOR PRODUCING SAME 学校法人北里研究所 2025-03-06 — — WO disclosed
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