SCHEMBL29316973

SCHEMBL29316973

C[N+](C)(C)C#Cc1ccc2c(c1)CCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.49
DYRK1A Q13627 3/20 0.42
PRKCI P41743 1/20 0.41
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
HTR3A P46098 1/20 0.41
CHRND Q07001 1/20 0.41
ERN1 O75460 3/20 0.38
DYRK2 Q92630 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
GRM5 P41594 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL4527924 0.75 ACACB (0.47) ACACBDYRK1APRKCICHRNA1CHRNG
SCHEMBL3844804 0.74 ACACB (0.48) ACACBDYRK1APRKCICHRNA1CHRNG
SCHEMBL3492241 0.74 PRKCI (0.47) ACACBDYRK1APRKCIERN1DYRK2
SCHEMBL1007547 0.74 PRKCI (0.47) ACACBDYRK1APRKCICHRNA1CHRNG
SCHEMBL1007965 0.74 ACACB (0.46) ACACBDYRK1APRKCICHRNA1CHRNG
SCHEMBL6797207 0.74 GRM5 (0.52) ACACBGRM5HDAC6RAB9ASMN1; SMN2
SCHEMBL5043723 0.73 ACACB (0.48) ACACBDYRK1APRKCICHRNA1CHRNG
SCHEMBL4737647 0.70 ACACB (0.42) ACACBDYRK1APRKCICHRNA1CHRNG
SCHEMBL6168565 0.69 ACACB (0.50) ACACBDYRK1APRKCIERN1HDAC3
SCHEMBL852658 0.69 ACACB (0.50) ACACBPRKCICHRNA1CHRNGCHRNB1

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-4400558-A1 PHOTON UPCONVERSION COMPOSITION, FILM, MYOPIA-SUPPRESSING TRANSPARENT PRODUCT, AND METHOD FOR CONVERTING VISIBLE LIGHT INTO ULTRAVIOLET LIGHT Kyushu University, National University Corporation (JP) 2024-07-17 EP disclosed