SCHEMBL14650710

CCC(COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1ccc2cc(S(=O)(=O)CCO)ccc2c1)C5=O)(COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1ccc2cc(S(=O)(=O)CCO)ccc2c1)C5=O)COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1ccc2cc(S(=O)(=O)CCO)ccc2c1)C5=O

nearest known ligand 0.33

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH1A1	P00352	1/20	0.33

▸	LMNA	P02545	1/20	0.33

▸	CYP1A2	P05177	1/20	0.33

▸	CYP2C9	P11712	1/20	0.33

▸	HPGD	P15428	1/20	0.33

▸	CYP2C19	P33261	1/20	0.33

▸	CA12	O43570	1/20	0.31

▸	CA1	P00915	1/20	0.31

▸	CA2	P00918	1/20	0.31

▸	CA9	Q16790	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
SCHEMBL14650718	0.93	CA12 (0.35)	ALDH1A1CYP1A2HPGDCYP2C19CA12
SCHEMBL14650713	0.88	ALDH1A1 (0.34)	ALDH1A1LMNACYP1A2CYP2C9HPGD
SCHEMBL14650606	0.82	ALDH1A1 (0.30)	ALDH1A1LMNACYP1A2CYP2C9HPGD
SCHEMBL14650693	0.81	CA12 (0.32)	CA12CA1CA2CA9
SCHEMBL14650686	0.81	TERT (0.31)	—
SCHEMBL14650719	0.80	CA12 (0.32)	CA12CA1CA2CA9
SCHEMBL14650726	0.80	CA12 (0.36)	ALDH1A1CYP1A2HPGDCYP2C19CA12
SCHEMBL14650699	0.79	CA12 (0.32)	CA12CA1CA2CA9
SCHEMBL14650645	0.79	ALDH1A1 (0.40)	ALDH1A1LMNACYP1A2CYP2C9HPGD
SCHEMBL14650677	0.79	KMT2A (0.38)	ALDH1A1LMNACYP1A2HPGDCYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-9051468-B2	Dyes for polymer coloration, their preparation and their use	CLARIANT INTERNATIONAL LTD (CH)	2015-06-09	—	—	US	disclosed
US-20130019415-A1	DYES FOR POLYMER COLORATION, THEIR PREPARATION AND THEIR USE	DYSTAR COLOURS DEUTSCHLAND GMBH (DE)	2013-01-24	—	—	US	disclosed