SCHEMBL23666286

SCHEMBL23666286

CCOc1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.63
NQO1 P15559 1/20 0.61
CHRNB2 P17787 1/20 0.59
CHRNB4 P30926 1/20 0.59
CHRNA3 P32297 1/20 0.59
CHRNA7 P36544 1/20 0.59
CHRNA4 P43681 1/20 0.59
FFAR1 O14842 1/20 0.58
RELA Q04206 1/20 0.57
APP P05067 1/20 0.52
ACACB O00763 10/20 0.51
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL22222384 0.92 LTA4H (0.59) LTA4HNQO1CHRNB2CHRNB4CHRNA3
SCHEMBL31160399 0.91 NQO1 (0.74) LTA4HNQO1ACACBTSHRTDP1
SCHEMBL6246382 0.84 FFAR1 (0.56) LTA4HNQO1FFAR1RELAACACB
SCHEMBL28942149 0.83 LTA4H (0.66) LTA4HCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL9333584 0.83 NQO1 (0.61) LTA4HNQO1ACACBTSHRTDP1
SCHEMBL4801213 0.83 NQO1 (0.61) LTA4HNQO1ACACBTSHRTDP1
SCHEMBL29868525 0.82 NQO1 (0.67) LTA4HNQO1RELAACACBTSHR
Phenetole SCHEMBL10779391 0.81 LTA4H (0.81) LTA4HNQO1CHRNB2CHRNB4CHRNA3
Phenetole SCHEMBL18492 0.81
Phenetole SCHEMBL499918 0.81 LTA4H (0.81) LTA4HNQO1CHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230034754-A1 ORGANIC SOLID CRYSTAL - METHOD AND STRUCTURE FACEBOOK TECHNOLOGIES, LLC 2023-02-02 US disclosed
US-20220350065-A1 MULTILAYER ORGANIC SOLID THIN FILMS HAVING A BIAXIAL REFRACTIVE INDEX META PLATFORMS TECHNOLOGIES, LLC 2022-11-03 US disclosed
US-11360342-B2 Light-scattering liquid crystal device DIC CORPORATION (JP) 2022-06-14 US disclosed
US-20210223586-A1 LIGHT-SCATTERING LIQUID CRYSTAL DEVICE DIC CORPORATION (JP) 2021-07-22 US disclosed