SCHEMBL29316737

SCHEMBL29316737

CC(C)(C)C#Cc1[nH]c2ccccc2c1C#CC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 3/20 0.39
GPR3 P46089 2/20 0.39
KIF11 P52732 6/20 0.38
CYP19A1 P11511 1/20 0.38
AHR P35869 2/20 0.36
HPGD P15428 3/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 3/20 0.33
TNKS2 Q9H2K2 2/20 0.33
CYP2C19 P33261 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL18157767 0.71 APP (0.44) ALDH1A1HSD17B10GPR3CYP19A1AHR
SCHEMBL13156630 0.67 BACE1 (0.33) ALDH1A1KDM4ELMNAATM
SCHEMBL17886019 0.66 KDM4E (0.44) ALDH1A1HPGDGAAKDM4ECYP1A2
SCHEMBL2464667 0.64 PDE9A (0.49) ALDH1A1HSD17B10GPR3CYP19A1AHR
SCHEMBL17509622 0.64 NQO1 (0.38) ALDH1A1HSD17B10HPGDGAAKDM4E
SCHEMBL3257739 0.64 CYP19A1 (0.61) ALDH1A1HSD17B10GPR3KIF11CYP19A1
SCHEMBL29635217 0.64 PDE9A (0.49) ALDH1A1HSD17B10GPR3CYP19A1AHR
Carbazole SCHEMBL29390729 0.62 ALDH1A1 (0.93) ALDH1A1HSD17B10GPR3KIF11AHR
SCHEMBL15957603 0.62 GABRA1 (0.51) ALDH1A1HSD17B10KIF11KDM4EKMT2A
SCHEMBL4951135 0.61 BACE1 (0.42) ALDH1A1HSD17B10HPGDKDM4ESMN1; SMN2

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