SCHEMBL10510635

CCCCCOc1ccc(C#Cc2ccc(CC[C@H]3CC[C@H](CC)CC3)cc2)cc1.CCCCOc1ccc(C#Cc2ccc(CC[C@H]3CC[C@H](CC)CC3)cc2)cc1.CCCOc1ccc(C#Cc2ccc(CC[C@H]3CC[C@H](CC)CC3)cc2)cc1.CCOc1ccc(C#Cc2ccc(CC[C@H]3CC[C@H](CC)CC3)cc2)cc1.CC[C@H]1CC[C@H](CCc2ccc(C#Cc3ccc(OC)cc3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	ACACB	O00763	11/20	0.44

▸	MAOB	P27338	1/20	0.42

▸	KCNH2	Q12809	1/20	0.38

▸	LMNA	P02545	1/20	0.38

▸	TSHR	P16473	1/20	0.38

▸	HTT	P42858	1/20	0.38

▸	SMN1; SMN2	Q16637	1/20	0.38

▸	MCHR1	Q99705	1/20	0.37

▸	CASR	P41180	1/20	0.37

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
SCHEMBL10511909	0.95	ACACB (0.44)	ACACBMAOBKCNH2LMNATSHR
SCHEMBL10510724	0.95	ACACB (0.44)	ACACBMAOBKCNH2LMNATSHR
SCHEMBL10511210	0.93	ACACB (0.43)	ACACBMAOBKCNH2LMNATSHR
SCHEMBL9510212	0.90	ACACB (0.46)	ACACBLMNASMN1; SMN2
SCHEMBL9511342	0.88	ACACB (0.53)	ACACBKCNH2LMNA
SCHEMBL9512380	0.88	ACACB (0.47)	ACACBMAOBKCNH2LMNASMN1; SMN2
SCHEMBL9510199	0.85	ACACB (0.51)	ACACBLMNASMN1; SMN2
SCHEMBL9509348	0.85	ACACB (0.51)	ACACBMAOB
SCHEMBL9511362	0.85	MAOB (0.53)	ACACBMAOB
SCHEMBL10512655	0.85	ACACB (0.42)	ACACBMAOBLMNAMCHR1

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-0308438-A1	Liquid crystal phase containing tolanes.	MERCK PATENT GMBH (DE)	1989-03-29	—	—	EP	disclosed
WO-1988007514-A1	TOLANES	MERCK Patent Gesellschaft mit beschränkter Haftung (DE)	1988-10-06	—	—	WO	disclosed