SCHEMBL25969983

SCHEMBL25969983

COc1ccc(C(OCC(O)CNC(=O)CCC(C)=O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 3/20 0.43
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
KIF11 P52732 3/20 0.39
CASR P41180 1/20 0.39

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
SCHEMBL20149856 0.95 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPTOPRM1
SCHEMBL25598334 0.92 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTOPRM1
SCHEMBL14847398 0.91 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTOPRM1
SCHEMBL16472145 0.91 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTOPRM1
SCHEMBL890354 0.90 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTOPRM1
SCHEMBL20149858 0.89 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTOPRM1
SCHEMBL24383281 0.87 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTOPRM1
SCHEMBL23373452 0.86 ASAH1 (0.51) ALDH1A1MEN1KMT2AHPGD
SCHEMBL24383374 0.86 KMT2A (0.43) ALDH1A1MEN1KMT2AMAPTOPRM1
SCHEMBL8842993 0.85 MMP2 (0.46) ALDH1A1MEN1KMT2AMAPTHPGD

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-20230257827-A1 CONJUGATES AND PREPARATION AND USE THEREOF Suzhou Ribo Life Science Co., Ltd. (CN) 2023-08-17 US disclosed