SCHEMBL24678318

SCHEMBL24678318

COc1ccc2c3c(c4c(c2c1)OC(c1ccc(OCCOC(=O)CCC(=O)O)cc1)(c1ccc(N2CCOCC2)cc1)C=C4)C1(CCCCCCC1)c1ccccc1-3

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
PLA2G4A P47712 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
GSK3B P49841 1/20 0.31
PIK3C3 Q8NEB9 2/20 0.31
ATM Q13315 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
ALOX5 P09917 1/20 0.30
PTGS2 P35354 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2C19 P33261 2/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL21636946 0.93 MEN1 (0.33) MAPTPLA2G4AALDH1A1KDM4EMRGPRX4
SCHEMBL24678603 0.90 ATM (0.33) MAPTALDH1A1KDM4ETP53TSHR
SCHEMBL22058727 0.89
SCHEMBL26032641 0.89 MAPT (0.33) MAPTPLA2G4ATSHRTDP1MRGPRX4
SCHEMBL25090645 0.89 MAPT (0.35) MAPTPLA2G4AALDH1A1KDM4ETP53
SCHEMBL21503743 0.88 TP53 (0.33) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL10102398 0.88 MAPT (0.34) MAPTALDH1A1KDM4ETP53TSHR
SCHEMBL26032649 0.87 AKT1 (0.34) MAPTALDH1A1KDM4ETP53TSHR
SCHEMBL26032672 0.85 MAPT (0.34) MAPTPLA2G4AALDH1A1KDM4ETSHR
SCHEMBL24404153 0.85 MAPT (0.34) MAPTALDH1A1MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242809-A1 PHOTOCHROMIC HYDROXYURETHANE COMPOUND TOKUYAMA CORPORATION (JP) 2023-08-03 US disclosed
US-20230242809-A1 PHOTOCHROMIC HYDROXYURETHANE COMPOUND TOKUYAMA CORPORATION (JP) 2023-08-03 US disclosed
EP-4047030-A1 PHOTOCHROMIC HYDROXYURETHANE COMPOUND Tokuyama Corporation (JP) 2022-08-24 EP disclosed