SCHEMBL6662428

CCCCN(C(=O)c1ccc(Cl)cc1)c1ccc(F)c([Ti](C2=CC=CC2)(C2=CC=CC2)c2c(F)ccc(N(CCCC)C(=O)c3ccc(Cl)cc3)c2F)c1F.Cc1ccc(CN(C(=O)c2ccccc2Cl)c2ccc(F)c([Ti](C3=CC=CC3)(C3=CC=CC3)c3c(F)ccc(N(Cc4ccc(C)cc4)C(=O)c4ccccc4Cl)c3F)c2F)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	PDK1	Q15118	1/20	0.33

▸	S1PR1	P21453	7/20	0.33

▸	S1PR3	Q99500	3/20	0.33

▸	POLB	P06746	1/20	0.32

▸	LTB4R2	Q9NPC1	1/20	0.31

▸	LPAR1	Q92633	1/20	0.31

▸	LPAR5	Q9H1C0	1/20	0.31

▸	HSP90AA1	P07900	1/20	0.31

▸	S1PR4	O95977	1/20	0.31

▸	S1PR5	Q9H228	1/20	0.31

▸	CNR1	P21554	1/20	0.31

▸	CNR2	P34972	1/20	0.31

▸	TP53	P04637	1/20	0.31

▸	MAPT	P10636	1/20	0.31

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
SCHEMBL483047	0.90	POLB (0.38)	PDK1POLBHSP90AA1CNR1CNR2
SCHEMBL599345	0.87	CNR2 (0.37)	PDK1POLBCNR1CNR2TP53
SCHEMBL483228	0.86	TP53 (0.36)	S1PR1S1PR3S1PR4S1PR5TP53
SCHEMBL599113	0.86	S1PR1 (0.35)	S1PR1MAPT
SCHEMBL482957	0.86	S1PR1 (0.39)	S1PR1MAPT
SCHEMBL28600368	0.85	S1PR1 (0.39)	S1PR1MAPT
SCHEMBL482967	0.83	S1PR1 (0.40)	S1PR1CNR2TP53
SCHEMBL482723	0.83	KMT2A (0.34)	LTB4R2CNR2TP53MAPT
SCHEMBL599290	0.83	RAB9A (0.36)	CNR2TP53MAPT
SCHEMBL270458	0.83	S1PR1 (0.33)	S1PR1POLBLPAR1LPAR5

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
EP-1091247-B1	Photopolymerizable composition	FUJI PHOTO FILM CO LTD (JP)	2004-08-25	—	—	EP	disclosed