SCHEMBL25844698

SCHEMBL25844698

COc1ccc2c3c(c4c(c2c1)OC(c1ccccc1)(c1ccc(N2CCOCC2)cc1)C=C4)C(C)(C)c1cc(C)ccc1-3

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.34
MAPK1 P28482 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 6/20 0.33
ALK Q9UM73 1/20 0.33
ALDH1A1 P00352 6/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
ADAM17 P78536 1/20 0.32
TP53 P04637 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL25844702 0.97 ALK (0.35) MAPTMAPK1SMN1; SMN2TSHRHSD17B10
SCHEMBL25844700 0.96 ALK (0.34) MAPTMAPK1SMN1; SMN2TSHRHSD17B10
SCHEMBL25844140 0.93 AKT1 (0.33) MAPTMAPK1SMN1; SMN2KMT2AKDM4E
SCHEMBL25606728 0.92 ATM (0.35) MAPTMAPK1SMN1; SMN2TSHRHSD17B10
SCHEMBL25844763 0.92 ALDH1A1 (0.35) MAPTMAPK1SMN1; SMN2TSHRHSD17B10
SCHEMBL3700110 0.92 RAB9A (0.35) MAPTMAPK1SMN1; SMN2TSHRHSD17B10
SCHEMBL30708906 0.92 RAB9A (0.35) MAPTMAPK1SMN1; SMN2TSHRHSD17B10
SCHEMBL25607198 0.91 ALDH1A1 (0.35) MAPTMAPK1SMN1; SMN2TSHRHSD17B10
SCHEMBL25844451 0.91 ALK (0.33) MAPTSMN1; SMN2HSD17B10KMT2AKDM4E
SCHEMBL25717701 0.91 ATM (0.36) MAPTMAPK1SMN1; SMN2TSHRHSD17B10

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
US-20230227717-A1 PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE, AND SPECTACLES HOYA LENS THAILAND LTD. (TH) 2023-07-20 US disclosed