SCHEMBL23636728 — predicted protein targets

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	DGAT2	Q96PD7	4/20	0.51

▸	RORC	P51449	11/20	0.49

▸	ACACB	O00763	4/20	0.46

▸	HDAC3	O15379	1/20	0.46

▸	HDAC4	P56524	1/20	0.46

▸	HDAC1	Q13547	1/20	0.46

▸	HDAC7	Q8WUI4	1/20	0.46

▸	HDAC2	Q92769	1/20	0.46

▸	HDAC10	Q969S8	1/20	0.46

▸	HDAC11	Q96DB2	1/20	0.46

▸	HDAC8	Q9BY41	1/20	0.46

▸	HDAC6	Q9UBN7	1/20	0.46

▸	HDAC9	Q9UKV0	1/20	0.46

▸	HDAC5	Q9UQL6	1/20	0.46

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
SCHEMBL23636805	0.91	PRKAA2 (0.51)	DGAT2RORCACACB
SCHEMBL23632655	0.89	RORC (0.52)	RORCACACB
SCHEMBL23636819	0.89	RORC (0.52)	RORCACACB
SCHEMBL21619981	0.86	RORC (0.52)	RORCHDAC3HDAC4HDAC1HDAC7
SCHEMBL23636735	0.85	ACACB (0.51)	RORCACACB
SCHEMBL23636742	0.84	RORC (0.48)	RORC
SCHEMBL23636737	0.84	RORC (0.48)	RORC
SCHEMBL23642189	0.83	RORC (0.53)	RORCACACB
SCHEMBL21619676	0.83	RORC (0.52)	DGAT2RORCHDAC3HDAC4HDAC1
SCHEMBL23636739	0.82	RORC (0.46)	RORC

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
WO-2021139599-A1	RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF	东莞市东阳光新药研发有限公司	2021-07-15	—	—	WO	disclosed