SCHEMBL11230702

SCHEMBL11230702

CC(=O)NC(CCC(=O)O)C(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2C Q5R387 1/20 0.40
▸ FOLH1 Q04609 5/20 0.39
▸ NAALAD2 Q9Y3Q0 2/20 0.39
▸ RIMKLA Q8IXN7 1/20 0.39
▸ GABRP O00591 2/20 0.39
▸ GABRD O14764 2/20 0.39
▸ GABRA1 P14867 2/20 0.39
▸ GABRB1 P18505 2/20 0.39
▸ GABRG2 P18507 2/20 0.39
▸ GABRB3 P28472 2/20 0.39
▸ GABRA5 P31644 2/20 0.39
▸ GABRA3 P34903 2/20 0.39
▸ GABRA2 P47869 2/20 0.39
▸ GABRB2 P47870 2/20 0.39
▸ GABRA4 P48169 2/20 0.39
▸ GABRE P78334 2/20 0.39
▸ GABRA6 Q16445 2/20 0.39
▸ GABRG1 Q8N1C3 2/20 0.39
▸ GABRG3 Q99928 2/20 0.39
▸ GABRQ Q9UN88 2/20 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
SCHEMBL10965852 0.81 TSHR (0.39) FOLH1NAALAD2RIMKLAGABRPGABRD
SCHEMBL11191528 0.79 SMN1; SMN2 (0.38) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL25269854 0.79 CA1 (0.49) —
SCHEMBL25269853 0.79 CA1 (0.49) —
SCHEMBL11232274 0.78 GABRP (0.47) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL11535880 0.74 SIRT6 (0.39) DPP4DPP8DPP9
SCHEMBL9628151 0.74 FOLH1 (0.45) PLA2G2CFOLH1NAALAD2RIMKLAGABRP
SCHEMBL28697108 0.72 GABRP (0.48) PLA2G2CFOLH1NAALAD2RIMKLAGABRP
SCHEMBL10947076 0.72 PLA2G2C (0.50) PLA2G2CFOLH1NAALAD2RIMKLAGABRP
SCHEMBL10947091 0.72 PLA2G2C (0.50) PLA2G2CFOLH1NAALAD2RIMKLAGABRP

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
US-4326071-A ENZYME INHIBITORS AND ANTIBIOTICS MERRELL TORAUDE ET COMPAGNIE (FR) 1982-04-20 — — US disclosed
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