SCHEMBL30938600

SCHEMBL30938600

Nc1ccnc(OCCc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.44
▸ CYP11B2 P19099 2/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ PTGES O14684 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ MAOB P27338 4/20 0.43
▸ ELOVL1 Q9BW60 2/20 0.43
▸ NR3C2 P08235 1/20 0.43
▸ NOS3 P29474 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ HMOX1 P09601 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL29332240 1.00 CYP11B1 (0.44) CYP11B1CYP11B2CYP19A1TAAR1PTGES
SCHEMBL25383372 0.78 TAAR1 (0.49) CYP11B1CYP11B2CYP19A1TAAR1PTGES
SCHEMBL30938625 0.78 CYP11B1 (0.44) CYP11B1CYP11B2CYP19A1PTGESALOX5
SCHEMBL29333144 0.77 PTGES (0.44) CYP11B1CYP11B2CYP19A1TAAR1PTGES
SCHEMBL29332326 0.76 TAAR1 (0.42) CYP11B1CYP11B2CYP19A1TAAR1MAOB
SCHEMBL28748513 0.76 SCN9A (0.48) MAOBNOS3NOS2
SCHEMBL109903 0.75 ALDH1A1 (0.48) NOS3NOS2
SCHEMBL30354760 0.74 TAAR1 (0.47) CYP11B1CYP11B2CYP19A1TAAR1PTGES
SCHEMBL30354770 0.74 MAOB (0.71) TAAR1MAOBPPARDPPARA
SCHEMBL29332333 0.73 TAAR1 (0.42) CYP11B1CYP11B2CYP19A1TAAR1PTGES

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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