SCHEMBL30295062

SCHEMBL30295062

[2H]C([2H])([2H])[C@@H](N)C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ANPEP P15144 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP7 P09237 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38

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
SCHEMBL13908363 0.92 KMT2A (0.51) KMT2AMEN1L3MBTL1LMNAALDH1A1
SCHEMBL27759421 0.92 KMT2A (0.51) KMT2AMEN1L3MBTL1LMNAALDH1A1
SCHEMBL23039956 0.83 MEN1 (0.48) KMT2AMEN1L3MBTL1LMNAALDH1A1
SCHEMBL23058774 0.83 MEN1 (0.48) KMT2AMEN1L3MBTL1LMNAALDH1A1
SCHEMBL23039954 0.83 MEN1 (0.48) KMT2AMEN1L3MBTL1LMNAALDH1A1
SCHEMBL13733686 0.83 MEN1 (0.48) KMT2AMEN1L3MBTL1LMNAALDH1A1
Hydrochloric Acid SCHEMBL13733682 0.82 MEN1 (0.47) KMT2AMEN1L3MBTL1LMNAALDH1A1
Hydrochloric Acid SCHEMBL13733690 0.82 MEN1 (0.47) KMT2AMEN1L3MBTL1LMNAALDH1A1
Hydrochloric Acid SCHEMBL30521710 0.82 MEN1 (0.47) KMT2AMEN1L3MBTL1LMNAALDH1A1
SCHEMBL23058787 0.81 MEN1 (0.46) KMT2AMEN1L3MBTL1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4408850-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE Caraway Therapeutics, Inc. (US) 2024-08-07 — — EP disclosed
EP-4408849-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE Caraway Therapeutics, Inc. (US) 2024-08-07 — — EP disclosed
WO-2023055912-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE CARAWAY THERAPEUTICS, INC. (US) 2023-04-06 — — WO disclosed
WO-2023055920-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE CARAWAY THERAPEUTICS, INC. (US) 2023-04-06 — — WO disclosed
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