SCHEMBL24779932

SCHEMBL24779932

CC(C)NC(Cc1ccccc1)C(=O)NCCC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ BCHE P06276 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CTSS P25774 5/20 0.45
▸ CTSL P07711 4/20 0.45
▸ CTSK P43235 3/20 0.45
▸ CTSB P07858 2/20 0.45
▸ AKT1 P31749 1/20 0.45
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ LAP3 P28838 2/20 0.43
▸ ANPEP P15144 1/20 0.43
▸ RNPEP Q9H4A4 1/20 0.43
▸ DNPEP Q9ULA0 1/20 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
SCHEMBL18435144 0.85 KMT2A (0.56) CYP3A4TSHRCYP2D6CYP2C9CYP2C19
SCHEMBL18435286 0.85 KMT2A (0.56) CYP3A4TSHRCYP2D6CYP2C9CYP2C19
SCHEMBL22915416 0.84 CTSS (0.53) L3MBTL1CTSSCTSLCTSKCTSB
SCHEMBL22915422 0.84 CTSS (0.53) L3MBTL1CTSSCTSLCTSKCTSB
SCHEMBL18435373 0.83 LAP3 (0.61) CYP3A4TSHRL3MBTL1KMT2ALAP3
SCHEMBL19289912 0.83 LAP3 (0.61) CYP3A4TSHRL3MBTL1KMT2ALAP3
SCHEMBL24766461 0.82 PSMB5 (0.54) L3MBTL1CTSSCTSLCTSKCTSB
SCHEMBL16252294 0.81 MME (0.51) CYP3A4TSHRL3MBTL1CTSSCTSL
SCHEMBL22059698 0.81 ACE (0.46) CYP3A4TSHRCTSSCTSLCTSK
SCHEMBL18435392 0.81 L3MBTL1 (0.49) CYP3A4TSHRBCHEL3MBTL1CTSS

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-20220396643-A1 NOVEL CROSSLINKED ALGINIC ACID STRUCTURE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2022-12-15 — — US disclosed
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