SCHEMBL31045253

SCHEMBL31045253

CC(C)[C@H](NC(=O)CCOCCOCCN1C(=O)C=CC1=O)C(=O)N[C@@H](C)C(=O)Nc1ccc(CI)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HRH1 P35367 4/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ XIAP P98170 1/20 0.30
▸ BIRC2 Q13490 1/20 0.30

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
SCHEMBL31045379 1.00 NR3C1 (0.36) NR3C1MGLLMEN1KMT2AHTT
SCHEMBL23071797 0.92 NR3C1 (0.38) NR3C1MGLLMEN1KMT2AHTT
SCHEMBL22702676 0.92 NR3C1 (0.38) NR3C1MGLLMEN1KMT2AHTT
SCHEMBL31045397 0.92 NR3C1 (0.38) NR3C1MGLLMEN1KMT2AHTT
SCHEMBL23432943 0.89 NR3C1 (0.35) NR3C1MGLLMEN1KMT2AHTT
SCHEMBL21073991 0.86 KMT2A (0.37) NR3C1MGLLMEN1KMT2AHTT
SCHEMBL20224930 0.86 KMT2A (0.37) NR3C1MGLLMEN1KMT2AHTT
SCHEMBL23680476 0.86 NR3C1 (0.38) NR3C1MGLLMEN1KMT2AHTT
SCHEMBL23433047 0.85 MEN1 (0.35) NR3C1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL31045407 0.84 FAP (0.40) HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4673474-A2 ANTI-PSMA ANTIBODIES, CONJUGATES, AND METHODS OF USE Eisai R&D Management Co., Ltd. (JP) 2026-01-07 — — EP disclosed
WO-2024182569-A2 ANTI-PSMA ANTIBODIES, CONJUGATES, AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2024-09-06 — — WO disclosed
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