SCHEMBL24330653

SCHEMBL24330653

Cc1cccc(C)c1-c1cc(Oc2cccc(CCCC(=O)O)c2)nc(NSc2cccc(N)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 10/20 0.38
▸ NR3C1 P04150 2/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.35
▸ CYP4F2 P78329 3/20 0.35
▸ CYP4A11 Q02928 3/20 0.35
▸ CYSLTR2 Q9NS75 1/20 0.34
▸ CYSLTR1 Q9Y271 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ PPARA Q07869 1/20 0.33

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
SCHEMBL29567101 0.84 NR3C1 (0.41) FFAR1NR3C1FFAR4
SCHEMBL24309585 0.84 NR3C1 (0.41) FFAR1NR3C1FFAR4
SCHEMBL24298137 0.84 GPR39 (0.35) CYP1A2
SCHEMBL24309590 0.82 FFAR1 (0.37) FFAR1NR3C1FFAR4CYSLTR2CYSLTR1
SCHEMBL24330885 0.79 TDP1 (0.34) —
SCHEMBL24330884 0.76 F10 (0.40) NR1H4PPARG
SCHEMBL24310009 0.76 GPR39 (0.45) CYP1A2
SCHEMBL24309643 0.73 FFAR1 (0.33) FFAR1
SCHEMBL24309507 0.72 CYP1A2 (0.35) CYP1A2
SCHEMBL24326406 0.70 SYK (0.40) CYP1A2

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-2022076626-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
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