SCHEMBL26032672

SCHEMBL26032672

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PLA2G4A P47712 1/20 0.33
TSHR P16473 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
ALK Q9UM73 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL26032673 0.93 MAPT (0.34) MAPTSMN1; SMN2PLA2G4ATSHRMRGPRX4
SCHEMBL25844702 0.88 ALK (0.35) MAPTSMN1; SMN2TSHRKDM4EALDH1A1
SCHEMBL25844700 0.87 ALK (0.34) MAPTSMN1; SMN2TSHRKDM4EALDH1A1
SCHEMBL25844698 0.86 MAPT (0.34) MAPTSMN1; SMN2TSHRKDM4EALDH1A1
SCHEMBL24678318 0.85 MAPT (0.33) MAPTPLA2G4ATSHRMRGPRX4KDM4E
SCHEMBL15462413 0.84 TP53 (0.33) ALDH1A1ALKLMNA
SCHEMBL30708906 0.83 RAB9A (0.35) MAPTSMN1; SMN2TSHRKDM4EALDH1A1
SCHEMBL3700110 0.83 RAB9A (0.35) MAPTSMN1; SMN2TSHRKDM4EALDH1A1
SCHEMBL18099448 0.83 HTR1A (0.33) MAPTPLA2G4ATSHRMRGPRX4KDM4E
SCHEMBL23604764 0.82 MAPT (0.35) MAPTMRGPRX4KDM4EALDH1A1HTT

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-20230242809-A1 PHOTOCHROMIC HYDROXYURETHANE COMPOUND TOKUYAMA CORPORATION (JP) 2023-08-03 US disclosed