SCHEMBL23379995

SCHEMBL23379995

Bc1cccc(CCCC(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.36
▸ LPL P06858 2/20 0.34
▸ LIPG Q9Y5X9 2/20 0.34
▸ TAAR1 Q96RJ0 5/20 0.33
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ NOS1 P29475 1/20 0.32

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
SCHEMBL27736912 0.80 LPL (0.42) RENLPLLIPGCYP4F2CYP4A11
SCHEMBL21292119 0.79 LPL (0.49) LPLLIPGPPARGPPARA
SCHEMBL11204314 0.78 MAOB (0.55) RENTAAR1
SCHEMBL23380017 0.78 TAAR1 (0.53) TAAR1
SCHEMBL14402554 0.77 LPL (0.56) LPLLIPGPPARGPPARA
SCHEMBL6685035 0.76 L3MBTL1 (0.48) CHRM2CHRM1SLC6A4SLC6A3
SCHEMBL12933285 0.75 CHRM2 (0.59) TAAR1CHRM2CHRM1CHRM3
SCHEMBL23759882 0.75 SIGMAR1 (0.50) —
SCHEMBL11949748 0.74 CNR1 (0.42) LPLLIPGTAAR1DRD2
SCHEMBL11910302 0.73 FOLH1 (0.53) CYP4F2CYP4A11

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-2021097057-A1 5-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY GENZYME CORPORATION (US) 2021-05-20 — — WO disclosed
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