SCHEMBL22724703

SCHEMBL22724703

COc1cc(-c2cc(F)c(C(=O)O)cc2CN(C(C)C)C(C)C)ccn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.40
▸ NR4A2 P43354 1/20 0.40
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ EGLN1 Q9GZT9 4/20 0.36
▸ NLRP3 Q96P20 5/20 0.35
▸ SLC13A5 Q86YT5 1/20 0.35
▸ SORT1 Q99523 1/20 0.35
▸ LIPG Q9Y5X9 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ AAK1 Q2M2I8 2/20 0.35
▸ CNR1 P21554 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
SCHEMBL22716997 0.91 PDE3B (0.39) DHODHNR4A2PDE3BPDE3APTGDR2
SCHEMBL29454537 0.91 PDE3B (0.39) DHODHNR4A2PDE3BPDE3APTGDR2
SCHEMBL22717230 0.85 PDE3B (0.38) DHODHNR4A2PDE3BPDE3APTGDR2
SCHEMBL22716998 0.82 PTGDR2 (0.38) DHODHNR4A2PTGDR2SLC13A5SORT1
SCHEMBL29454553 0.82 PTGDR2 (0.38) DHODHNR4A2PTGDR2SLC13A5SORT1
SCHEMBL29454662 0.77 FFAR1 (0.47) —
SCHEMBL22717217 0.77 FFAR1 (0.47) —
SCHEMBL22717219 0.77 FFAR1 (0.47) —
SCHEMBL22717172 0.76 NR4A2 (0.40) DHODHNR4A2PDE3BPDE3APTGDR2
SCHEMBL22717049 0.75 NNMT (0.41) DHODHAAK1

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-2020242943-A1 GPR40 AGONISTS KALLYOPE, INC. (US) 2020-12-03 — — WO disclosed
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