SCHEMBL29493833

SCHEMBL29493833

C[Si](C)(C)CCOCn1ncc2c(F)cc(Br)cc21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 3/20 0.45
▸ F2RL1 P55085 1/20 0.33
▸ ALOX5AP P20292 2/20 0.32
▸ FEN1 P39748 2/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.30
▸ HSP90AB1 P08238 1/20 0.30
▸ TRAP1 Q12931 1/20 0.30
▸ KDM5A P29375 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
SCHEMBL25366051 1.00 DGAT1 (0.45) DGAT1F2RL1ALOX5APFEN1NPC1
SCHEMBL31411454 0.87 DGAT1 (0.38) DGAT1F2RL1ALOX5APFEN1NPC1
SCHEMBL30536675 0.85 DGAT1 (0.36) DGAT1F2RL1ALOX5APFEN1NPC1
SCHEMBL31459865 0.85 DGAT1 (0.36) DGAT1F2RL1ALOX5APFEN1NPC1
SCHEMBL32671098 0.85 DGAT1 (0.36) DGAT1NPC1
SCHEMBL25367415 0.85 DGAT1 (0.36) DGAT1F2RL1ALOX5APFEN1NPC1
SCHEMBL30855733 0.82 DGAT1 (0.39) DGAT1F2RL1ALOX5APFEN1NPC1
SCHEMBL25366953 0.81 DGAT1 (0.36) DGAT1
SCHEMBL29493812 0.81 DGAT1 (0.36) DGAT1
SCHEMBL25368727 0.80 DGAT1 (0.41) DGAT1F2RL1ALOX5APFEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116600801-A HSD17B13 inhibitors and uses thereof FL2022-001公司 2023-08-15 — — CN disclosed
EP-4221701-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, Inc. (US) 2023-08-09 — — EP disclosed
WO-2022072491-A1 HSD17B13 INHIBITORS AND USES THEREOF METACRINE, INC. (US) 2022-04-07 — — WO disclosed
Send feedback