Methane

SCHEMBL7937872

C.Cc1cc(C)c(-c2ccc3c(c2)C([Zr+2](C)(C)C2c4ccccc4-c4c2ccc2ccccc42)c2cc(-c4c(C)cc(C)cc4C)ccc2-3)c(C)c1.[Cl-].[Cl-]

nearest known ligand 0.34

Known targets — ChEMBL curated mechanism

ACHE BDKRB2 CHRM1 CHRM2 CHRM3 CHRNA1 CHRNB1 CHRND CHRNE CHRNG GUCY1A1 GUCY1A2 GUCY1B1 GUCY1B2 NAMPT PTAFR SLC10A2 SLC6A2 SLC6A3 TACR1 dacA dacB dacC ftsI mrcA mrcB mrdA

The experimentally established mechanism targets of Methane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	EGFR	P00533	3/20	0.34

▸	ERBB2	P04626	3/20	0.34

▸	MMP2	P08253	1/20	0.33

▸	MMP9	P14780	1/20	0.33

▸	DRD2	P14416	1/20	0.31

▸	CYP1A2	P05177	1/20	0.31

▸	CYP2A6	P11509	1/20	0.31

▸	CA12	O43570	2/20	0.31

▸	CA1	P00915	2/20	0.31

▸	CA2	P00918	2/20	0.31

▸	CA9	Q16790	2/20	0.31

▸	EDNRB	P24530	1/20	0.30

▸	EDNRA	P25101	1/20	0.30

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
Hydrochloric Acid SCHEMBL8606095	0.73	CA12 (0.39)	EGFRERBB2MMP2MMP9DRD2
Hydrochloric Acid SCHEMBL7583797	0.73	CA12 (0.37)	EGFRERBB2MMP2MMP9DRD2
SCHEMBL7599196	0.71	CA12 (0.37)	EGFRERBB2MMP2MMP9DRD2
SCHEMBL7601274	0.71	CA12 (0.37)	EGFRERBB2MMP2MMP9DRD2
SCHEMBL29918191	0.66	CYP1A2 (0.50)	CYP1A2CYP2A6
Methane SCHEMBL6559545	0.65	KDM1A (0.32)	DRD2
SCHEMBL796973	0.65	CRHR1 (0.36)	CA12CA1CA2CA9EDNRB
SCHEMBL797656	0.65	CRHR1 (0.36)	CYP1A2CYP2A6CA12CA1CA2
SCHEMBL20081080	0.65	L3MBTL1 (0.48)	CYP1A2CYP2A6
Hydrochloric Acid SCHEMBL17818101	0.65	DRD2 (0.36)	DRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1123938-A2	Organometallic fluorenyl compounds, preparation, and use	PHILLIPS PETROLEUM COMPANY (US)	2001-08-16	—	—	EP	disclosed
EP-0672675-A1	Organometallic fluorenyl compounds, preparation, and use	PHILLIPS PETROLEUM COMPANY (US)	1995-09-20	—	—	EP	disclosed