SCHEMBL14422376

C=C(COCCOCCNC(=O)CCCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCC(=O)N[C@@H](CCCCNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)CCCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCCCC[C@H](C)C(N)=O)C(=O)NCCCC[C@H](C)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	FOLH1	Q04609	7/20	0.52

▸	CNR1	P21554	3/20	0.49

▸	PKM	P14618	2/20	0.47

▸	PRSS1	P07477	2/20	0.47

▸	PRSS2	P07478	2/20	0.47

▸	PRSS3	P35030	2/20	0.47

▸	TPSAB1	Q15661	2/20	0.47

▸	PLG	P00747	1/20	0.47

▸	F2	P00734	1/20	0.47

▸	CAPN1	P07384	2/20	0.46

▸	KDM4E	B2RXH2	1/20	0.46

▸	EGLN1	Q9GZT9	1/20	0.46

▸	KDM2A	Q9Y2K7	1/20	0.46

▸	TDP1	Q9NUW8	1/20	0.46

▸	HSP90AB1	P08238	1/20	0.44

▸	CNR2	P34972	2/20	0.44

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
SCHEMBL13475036	0.96	FOLH1 (0.54)	FOLH1CNR1PKMPRSS1PRSS2
SCHEMBL8106640	0.90	FOLH1 (0.54)	FOLH1CNR1PKMPRSS1PRSS2
SCHEMBL12767763	0.90	FOLH1 (0.61)	FOLH1CNR1PKMPRSS1PRSS2
SCHEMBL12147642	0.90	FOLH1 (0.61)	FOLH1CNR1PKMPRSS1PRSS2
SCHEMBL12743524	0.90	FOLH1 (0.59)	FOLH1CNR1PKMPRSS1PRSS2
SCHEMBL12972428	0.90	FOLH1 (0.59)	FOLH1CNR1PKMPRSS1PRSS2
SCHEMBL8121361	0.89	FOLH1 (0.53)	FOLH1CNR1PKMPRSS1PRSS2
SCHEMBL12147692	0.84	FOLH1 (0.49)	FOLH1CNR1PKMPRSS1PRSS2
SCHEMBL8115912	0.84	FOLH1 (0.61)	FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL14500455	0.83	FOLH1 (0.59)	FOLH1CNR1PKMPRSS1PRSS2

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
US-7261876-B2	Multivalent constructs for therapeutic and diagnostic applications	BRACCO INTERNATIONAL BV (NL)	2007-08-28	—	—	US	disclosed