SCHEMBL29831280

O=CCCCCOc1cccc(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4nc(c(-c5cccc(O)c5)c5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	HDAC3	O15379	9/20	0.37

▸	HDAC4	P56524	9/20	0.37

▸	HDAC1	Q13547	9/20	0.37

▸	HDAC7	Q8WUI4	9/20	0.37

▸	HDAC2	Q92769	9/20	0.37

▸	HDAC10	Q969S8	9/20	0.37

▸	HDAC11	Q96DB2	9/20	0.37

▸	HDAC8	Q9BY41	9/20	0.37

▸	HDAC6	Q9UBN7	9/20	0.37

▸	HDAC9	Q9UKV0	9/20	0.37

▸	HDAC5	Q9UQL6	9/20	0.37

▸	TOP1	P11387	1/20	0.36

▸	PPARG	P37231	1/20	0.36

▸	PPARA	Q07869	1/20	0.36

▸	CYCS	P99999	3/20	0.36

▸	ENPP2	Q13822	1/20	0.35

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
SCHEMBL29831938	0.86	PPARG (0.51)	HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19718136	0.86	PPARG (0.51)	HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30293912	0.86	HDAC1 (0.43)	HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL585553	0.85	TSHR (0.41)	PPARGPPARA
SCHEMBL585409	0.85	TSHR (0.41)	PPARGPPARA
SCHEMBL10084837	0.83	GPBAR1 (0.40)	HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19718117	0.82	CYSLTR2 (0.47)	HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12057429	0.78	NR5A1 (0.44)	TOP1CYCSENPP2
SCHEMBL29556430	0.78	TOP1 (0.50)	TOP1CYCSENPP2
SCHEMBL31296593	0.78	TOP1 (0.50)	TOP1CYCSENPP2

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
CN-109922834-B	Porphyrin compounds and compositions for the treatment of cancer	良药治疗公司	2022-09-23	—	—	CN	disclosed