SCHEMBL25875879

SCHEMBL25875879

COc1cc2c(O)cc3c(c2cc1-c1ccc(N2CCOCC2)cc1)-c1ccccc1C3(CCC(F)(F)F)CCC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FYN P06241 2/20 0.36
TGFBR1 P36897 1/20 0.35
ACVR1 Q04771 1/20 0.35
STK10 O94804 1/20 0.35
SLK Q9H2G2 1/20 0.35
S1PR1 P21453 1/20 0.34
TSHR P16473 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HSD17B10 Q99714 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34

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
SCHEMBL25836771 0.89 ALDH1A1 (0.39) PDK2KDM4EALDH1A1LMNAMAPT
SCHEMBL25837612 0.86 ALDH1A1 (0.39) PDK2KDM4EALDH1A1LMNAMAPT
SCHEMBL25875886 0.83 KDM4E (0.37) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL25876872 0.82 PDK2 (0.33) PDK2
SCHEMBL25875876 0.81 PDK2 (0.38) PDK2RAB9A
SCHEMBL10293036 0.80 FYN (0.40) PDK2KDM4EALDH1A1LMNAMAPT
SCHEMBL13868678 0.80 FYN (0.40) PDK2KDM4EALDH1A1LMNAMAPT
SCHEMBL25875866 0.80 PTPN1 (0.35) PDK2KDM4EALDH1A1LMNAMAPT
SCHEMBL25954116 0.80 ALDH1A1 (0.38) PDK2KDM4EALDH1A1LMNAMAPT
SCHEMBL24605102 0.78 ALDH1A1 (0.38) PDK2KDM4EALDH1A1LMNAMAPT

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
WO-2023140186-A1 PHOTOCHROMIC COMPOUND, NAPHTHOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES 株式会社トクヤマ 2023-07-27 WO disclosed