SCHEMBL28046922

SCHEMBL28046922

CCOP(=O)(CC(=O)Nc1ccccc1OC(=O)NC(C)(C)C)OCC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.44
▸ CYP2C19 P33261 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TSHR P16473 3/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL28463477 0.83 GAA (0.48) GAACYP2C19ALDH1A1L3MBTL1HSD17B10
SCHEMBL15483137 0.78 LMNA (0.41) GAAALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL13653517 0.76 GAA (0.51) GAAALDH1A1L3MBTL1HSD17B10TSHR
SCHEMBL4817806 0.76 HPGD (0.53) ALDH1A1L3MBTL1HSD17B10KDM4ESMN1; SMN2
SCHEMBL12497355 0.76 KDM4E (0.47) GAACYP2C19ALDH1A1L3MBTL1HSD17B10
SCHEMBL11675635 0.72 HSD17B10 (0.43) ALDH1A1L3MBTL1HSD17B10KMT2AKDM4E
SCHEMBL16766556 0.72 PTK2 (0.38) GAACYP2C19TSHRKMT2AKDM4E
SCHEMBL28183310 0.71 L3MBTL1 (0.51) GAACYP2C19ALDH1A1L3MBTL1KMT2A
SCHEMBL10952765 0.71 NPSR1 (0.53) GAAALDH1A1HSD17B10KDM4ESMN1; SMN2
SCHEMBL27831985 0.71 MAPK3 (0.48) GAACYP2C19ALDH1A1HSD17B10KMT2A

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
CN-105120860-A Histone deacetylase inhibitors BIOMARIN PHARM INC 2015-12-02 — — CN disclosed
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