SCHEMBL30229497

SCHEMBL30229497

COC(=O)N(C(Cc1cc(OC)ccc1F)C(=O)O)C1c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SDCBP O00560 1/20 0.37
▸ SDC2 P34741 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MTNR1B P49286 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CTSD P07339 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ROCK2 O75116 1/20 0.35

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
SCHEMBL25185951 0.90 DPP4 (0.38) MEN1KMT2A
SCHEMBL30510237 0.90 DPP4 (0.38) MEN1KMT2A
SCHEMBL27078253 0.88 ALDH1A1 (0.35) LMNAMEN1KMT2AALDH1A1TSHR
SCHEMBL25182298 0.88 PPIA (0.33) TSHR
SCHEMBL30510307 0.88 ALDH1A1 (0.35) LMNAMEN1KMT2AALDH1A1TSHR
SCHEMBL27215385 0.87 PPIA (0.41) LMNAMEN1KMT2AALDH1A1TSHR
SCHEMBL25186515 0.87 PPIA (0.41) LMNAMEN1KMT2AALDH1A1TSHR
SCHEMBL4600010 0.83 LDHA (0.47) GAAKMT2A
SCHEMBL30510242 0.83 LDHA (0.47) GAAKMT2A
SCHEMBL30510418 0.82 PPIA (0.37) KMT2ATSHR

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-4373835-A1 MACROCYLIC IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2024-05-29 — — EP disclosed
WO-2023004240-A1 MACROCYLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-26 — — WO disclosed
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