SCHEMBL9844558

CCCCCCCCCCCCC(COP(OCC(CCCCCCCCCCCC)(c1ccc(C(C)(C)C)cc1C(C)(C)C)c1ccc(C(C)(C)C)cc1C(C)(C)C)OCC(CCCCCCCCCCCC)(c1ccc(C(C)(C)C)cc1C(C)(C)C)c1ccc(C(C)(C)C)cc1C(C)(C)C)(c1ccc(C(C)(C)C)cc1C(C)(C)C)c1ccc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CNR2	P34972	11/20	0.35

▸	ESR1	P03372	5/20	0.33

▸	ESR2	Q92731	3/20	0.33

▸	GHSR	Q92847	1/20	0.33

▸	CNR1	P21554	10/20	0.33

▸	STS	P08842	1/20	0.32

▸	PGR	P06401	1/20	0.32

▸	RORA	P35398	1/20	0.32

▸	RORC	P51449	1/20	0.32

▸	RORB	Q92753	1/20	0.32

▸	HDAC3	O15379	1/20	0.32

▸	HDAC1	Q13547	1/20	0.32

▸	HDAC2	Q92769	1/20	0.32

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
SCHEMBL9844479	1.00	CNR2 (0.35)	CNR2ESR1ESR2GHSRCNR1
SCHEMBL9844562	0.90	CNR2 (0.35)	CNR2ESR1ESR2GHSRCNR1
SCHEMBL9844485	0.90	CNR2 (0.35)	CNR2ESR1ESR2GHSRCNR1
SCHEMBL2873121	0.74	CNR2 (0.36)	CNR2GHSRCNR1STSHDAC3
SCHEMBL1069506	0.73	CNR2 (0.33)	CNR2GHSRCNR1STSHDAC3
SCHEMBL10415162	0.72	CNR2 (0.34)	CNR2GHSRCNR1STSHDAC3
SCHEMBL11168622	0.70	CNR2 (0.43)	CNR2GHSRCNR1
SCHEMBL11187569	0.70	CNR2 (0.43)	CNR2GHSRCNR1
SCHEMBL13571746	0.70	THRA (0.34)	ESR1GHSRPGRRORARORC
SCHEMBL6058692	0.70	GHSR (0.33)	GHSRPGRRORARORCRORB

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-0416321-A1	Crystalline polyolefin composition	Chisso Corporation (JP)	1991-03-13	—	—	EP	disclosed