SCHEMBL18533362

CC(C)(C)OC(=O)N1CCN(CCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	ACKR3	P25106	3/20	0.43

▸	STAT3	P40763	1/20	0.42

▸	TSHR	P16473	1/20	0.41

▸	SIGMAR1	Q99720	2/20	0.41

▸	LMNA	P02545	3/20	0.41

▸	TLR8	Q9NR97	1/20	0.40

▸	KEAP1	Q14145	1/20	0.39

▸	NFE2L2	Q16236	1/20	0.39

▸	THRB	P10828	1/20	0.39

▸	SMN1; SMN2	Q16637	1/20	0.38

▸	TP53	P04637	1/20	0.38

▸	EPHX2	P34913	1/20	0.38

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
SCHEMBL18471605	0.96	LMNA (0.43)	ACKR3STAT3TSHRSIGMAR1LMNA
SCHEMBL28779148	0.83	ALDH1A1 (0.41)	ACKR3STAT3SIGMAR1KEAP1NFE2L2
SCHEMBL20374424	0.79	ACKR3 (0.45)	ACKR3LMNATLR8SMN1; SMN2TP53
SCHEMBL16809206	0.78	SMN1; SMN2 (0.45)	ACKR3LMNATLR8SMN1; SMN2TP53
SCHEMBL18471593	0.77	TSHR (0.44)	TSHRSIGMAR1SMN1; SMN2TP53
SCHEMBL18484173	0.76	TSHR (0.53)	TSHRSMN1; SMN2
SCHEMBL18471601	0.76	MAPT (0.36)	TSHRSIGMAR1
SCHEMBL23375882	0.76	ACKR3 (0.53)	ACKR3STAT3SIGMAR1LMNATLR8
SCHEMBL27097882	0.76	TLR8 (0.50)	TLR8EPHX2
SCHEMBL27097884	0.76	EPHX2 (0.44)	ACKR3STAT3TLR8SMN1; SMN2EPHX2

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
EP-3133069-A1	BCR-ABL DIPLOID INHIBITOR, PREPARATION METHOD THEREFOR, AND USES THEREOF	Chengdu University (CN)	2017-02-22	—	—	EP	disclosed