SCHEMBL5801040

Cc1c(CC(=O)NC(C)C(=O)O)c2c(F)c(O)ccc2n1C(=O)c1cccc(F)c1.Cc1c(CC(=O)NC(C)CC(=O)O)c2c(F)c(O)ccc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	AKR1C3	P42330	5/20	0.41

▸	AKR1C2	P52895	5/20	0.41

▸	BCL2L1	Q07817	2/20	0.37

▸	PTGS2	P35354	10/20	0.37

▸	LMNA	P02545	1/20	0.35

▸	CYP1A2	P05177	1/20	0.35

▸	CYP2D6	P10635	1/20	0.35

▸	CYP2C9	P11712	1/20	0.35

▸	TSHR	P16473	1/20	0.35

▸	NFKB1	P19838	1/20	0.35

▸	HIF1A	Q16665	1/20	0.35

▸	NPSR1	Q6W5P4	1/20	0.35

▸	GPR139	Q6DWJ6	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.

Compound	similarity	top predicted	shared targets
SCHEMBL5560460	0.96	AKR1C3 (0.44)	AKR1C3AKR1C2BCL2L1PTGS2LMNA
SCHEMBL6424396	0.94	AKR1C3 (0.43)	AKR1C3AKR1C2PTGS2LMNACYP1A2
SCHEMBL6423794	0.88	PTGS2 (0.44)	AKR1C3AKR1C2BCL2L1PTGS2
SCHEMBL5559178	0.88	AKR1C3 (0.41)	AKR1C3AKR1C2BCL2L1PTGS2LMNA
SCHEMBL5553993	0.87	PTGS2 (0.48)	AKR1C3AKR1C2PTGS2LMNATSHR
SCHEMBL5553986	0.87	PTGS2 (0.48)	AKR1C3AKR1C2PTGS2LMNATSHR
SCHEMBL5560684	0.86	AKR1C3 (0.43)	AKR1C3AKR1C2PTGS2CYP2D6TSHR
SCHEMBL5560477	0.86	PTGS2 (0.45)	BCL2L1PTGS2
SCHEMBL5560407	0.86	AKR1C3 (0.42)	AKR1C3AKR1C2BCL2L1PTGS2LMNA
SCHEMBL6424981	0.85	PTGS2 (0.43)	AKR1C3AKR1C2BCL2L1PTGS2

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2006050120-A2	SYNTHESIS OF COX-2 AND FAAH INHIBITORS	MICROBIA, INC. (US)	2006-05-11	—	—	WO	disclosed