SCHEMBL11111613

SCHEMBL11111613

CCCCOc1ccc(C#Cc2c3ccccc3c(C#Cc3ccc(OCCCC)cc3)c3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.53
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNA4 P43681 1/20 0.50
CYP2D6 P10635 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ACACB O00763 1/20 0.45
METAP2 P50579 1/20 0.43
NR5A1 Q13285 1/20 0.43
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
CYP3A4 P08684 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL10034261 0.87 LTA4H (0.47) LTA4HCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL10034262 0.87 LTA4H (0.47) LTA4HCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL28942149 0.85 LTA4H (0.66) LTA4HCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL10880914 0.83 L3MBTL1 (0.40) LTA4HCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL29390021 0.82 NR5A1 (0.59) LTA4HACACBNR5A1L3MBTL1TP53
SCHEMBL28328005 0.82 LTA4H (0.68) LTA4HCHRNB2CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL11212777 0.82 CHRNB4 (0.54) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL28942158 0.81 LTA4H (0.66) LTA4HCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL10944992 0.81 L3MBTL1 (0.39) LTA4HCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL21562021 0.81 L3MBTL1 (0.50) ATMTDP1L3MBTL1MAPTFFAR1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0107008-A1 9,10-bis(phenylethynyl)-anthracenes AMERICAN CYANAMID COMPANY (US) 1984-05-02 EP claimed