SCHEMBL29331944

SCHEMBL29331944

Cc1c(Br)cncc1OCCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.44
▸ CYP11B2 P19099 2/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ PPARA Q07869 3/20 0.42
▸ PPARD Q03181 2/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.37
▸ PTGES O14684 3/20 0.37
▸ ALOX5 P09917 3/20 0.37
▸ PPARG P37231 2/20 0.37
▸ MAOB P27338 1/20 0.35
▸ PSEN1 P49768 1/20 0.35
▸ DAO P14920 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HMOX1 P09601 1/20 0.34

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
SCHEMBL29331862 0.73 CYP11B1 (0.43) CYP11B1CYP11B2CYP19A1PPARAPPARD
SCHEMBL29331660 0.72 CYP11B1 (0.45) CYP11B1CYP11B2CYP19A1PPARAPPARD
SCHEMBL22894152 0.71 PPARA (0.54) PPARAPPARDTAAR1PTGESALOX5
SCHEMBL4619711 0.70 CYP11B1 (0.48) CYP11B1CYP11B2CYP19A1PPARAPPARD
SCHEMBL26984951 0.69 L3MBTL1 (0.38) CYP11B1CYP11B2L3MBTL1
SCHEMBL25218873 0.69 MAPT (0.45) CYP11B1CYP11B2CYP19A1PPARAPPARD
SCHEMBL25384122 0.68 AOC3 (0.55) L3MBTL1
SCHEMBL30746387 0.68 CCR5 (0.46) MAOBL3MBTL1
SCHEMBL26984849 0.68 CCR5 (0.46) MAOBL3MBTL1
SCHEMBL29332326 0.68 TAAR1 (0.42) CYP11B1CYP11B2CYP19A1PPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151919-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2024-07-18 — — WO disclosed
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