SCHEMBL25400709

SCHEMBL25400709

Cc1ccccc1C(=O)O[C@H]1O[C@H](OC(=O)c2ccccc2)[C@@H](F)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MAPT P10636 4/20 0.39
▸ LMNA P02545 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ADRB2 P07550 2/20 0.38
▸ ADRB1 P08588 2/20 0.38
▸ ADRB3 P13945 2/20 0.38
▸ BCHE P06276 1/20 0.37
▸ LGALS3 P17931 2/20 0.37
▸ LGALS9 O00182 1/20 0.37
▸ LGALS1 P09382 1/20 0.37
▸ LGALS7; LGALS7B P47929 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ LGALS4 P56470 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ CHRNA7 P36544 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
SCHEMBL28400811 0.95 NPC1 (0.39) NPC1RAB9AMAPTLMNAL3MBTL1
SCHEMBL28562523 0.90 NPC1 (0.40) NPC1RAB9AMAPTLMNAL3MBTL1
SCHEMBL28427525 0.90 NPC1 (0.40) NPC1RAB9AMAPTLMNAL3MBTL1
SCHEMBL20141708 0.90 NPC1 (0.40) NPC1RAB9AMAPTLMNAL3MBTL1
SCHEMBL28716111 0.90 NPC1 (0.40) NPC1RAB9AMAPTLMNAL3MBTL1
SCHEMBL12447824 0.88 LGALS9 (0.44) LMNABCHELGALS3LGALS9LGALS1
SCHEMBL25401960 0.86 NPC1 (0.43) NPC1RAB9AMAPTLMNAL3MBTL1
SCHEMBL25399216 0.79 RNASE1 (0.49) MAPTLMNAKMT2APOLB
SCHEMBL28758982 0.79 LGALS9 (0.41) LMNABCHELGALS3LGALS9LGALS1
SCHEMBL25402683 0.78 RNASE1 (0.42) MAPTLMNAL3MBTL1KMT2APOLB

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
WO-2023178133-A9 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS, INC. (US) 2023-10-26 — — WO disclosed
WO-2023178133-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS, INC. (US) 2023-09-21 — — WO disclosed
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