SCHEMBL4733068

CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5C[C@H]6CC5CO6)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1

nearest known ligand 0.83

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	BCL2L1	Q07817	18/20	0.83

▸	BCL2	P10415	16/20	0.83

▸	BAD	Q92934	4/20	0.83

▸	BCL2L2	Q92843	2/20	0.83

▸	BCL2L11	O43521	1/20	0.83

▸	CYP2C9	P11712	1/20	0.83

▸	MCL1	Q07820	1/20	0.83

▸	ASPH	Q12797	1/20	0.83

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
SCHEMBL2081950	1.00	BCL2L1 (0.83)	BCL2L1BCL2BADBCL2L2BCL2L11
SCHEMBL1627943	0.97	BCL2L1 (0.77)	BCL2L1BCL2BADBCL2L2BCL2L11
SCHEMBL1957284	0.97	BCL2L1 (0.77)	BCL2L1BCL2BADBCL2L2BCL2L11
SCHEMBL19419610	0.96	BCL2L1 (0.78)	BCL2L1BCL2BADBCL2L2BCL2L11
SCHEMBL2081967	0.96	BCL2L1 (0.78)	BCL2L1BCL2BADBCL2L2BCL2L11
SCHEMBL30405052	0.94	BCL2L1 (0.74)	BCL2L1BCL2BADBCL2L2BCL2L11
SCHEMBL4733622	0.93	BCL2L1 (0.84)	BCL2L1BCL2BADBCL2L2BCL2L11
SCHEMBL19419613	0.93	BCL2L1 (0.84)	BCL2L1BCL2BADBCL2L2BCL2L11
SCHEMBL19424184	0.93	BCL2L1 (0.84)	BCL2L1BCL2BADBCL2L2BCL2L11
SCHEMBL1958008	0.93	BCL2L1 (0.84)	BCL2L1BCL2BADBCL2L2BCL2L11

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-2008064116-A2	METHOD OF PREVENTING OR TREATING ORGAN, HEMATOPOIETIC STEM CELL OR BONE MARROW TRANSPLANT REJECTION	ABBOTT LABORATORIES (US)	2008-05-29	—	—	WO	disclosed