SCHEMBL14318648

CCCC(O)c1ccc(OC/C=C/C(=O)Oc2cc3c4cc(OC(=O)/C=C/COc5ccc(O)cc5)c(OC(=O)/C=C/COc5ccc(O)cc5)cc4c4cc(OC(=O)/C=C/COc5ccc(O)cc5)c(OC(=O)/C=C/COc5ccc(O)cc5)cc4c3cc2OC(=O)/C=C/COc2ccc(C(O)CCC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	ADRB2	P07550	1/20	0.35

▸	ADRB1	P08588	1/20	0.35

▸	ADRB3	P13945	1/20	0.35

▸	ABCG2	Q9UNQ0	3/20	0.34

▸	ALDH1A1	P00352	1/20	0.34

▸	SMN1; SMN2	Q16637	1/20	0.34

▸	MAOB	P27338	1/20	0.33

▸	MEN1	O00255	1/20	0.32

▸	KMT2A	Q03164	1/20	0.32

▸	LTA4H	P09960	2/20	0.32

▸	NR5A1	Q13285	1/20	0.32

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
SCHEMBL14318647	0.80	AKR1C3 (0.39)	MEN1KMT2A
SCHEMBL14282665	0.79	PLK1 (0.44)	ABCG2ALDH1A1MEN1KMT2ALTA4H
SCHEMBL14282668	0.79	TP53 (0.41)	ABCG2SMN1; SMN2
SCHEMBL14282666	0.79	POLB (0.42)	ALDH1A1SMN1; SMN2MAOBKMT2A
SCHEMBL14282677	0.77	THRB (0.49)	ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL14282667	0.76	TP53 (0.48)	SMN1; SMN2NR5A1
SCHEMBL14282674	0.70	ALDH1A1 (0.51)	ALDH1A1SMN1; SMN2MAOB
SCHEMBL1917704	0.68	TAAR1 (0.56)	ADRB2ALDH1A1SMN1; SMN2
SCHEMBL14282673	0.68	THRB (0.46)	ALDH1A1
SCHEMBL14282672	0.68	THRB (0.46)	ALDH1A1

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-7314654-B2	Optically anisotropic element comprising discotic compound	FUJIFILM CORPORATION (JP)	2008-01-01	—	—	US	disclosed