SCHEMBL23878298

SCHEMBL23878298

CC(CCC(=O)c1ccc(F)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
LMNA P02545 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HTR7 P34969 1/20 0.43
TRPA1 O75762 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
PLOD2 O00469 1/20 0.40
CXCR3 P49682 1/20 0.40
DPP4 P27487 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL22040170 0.86 TRPA1 (0.47) ALDH1A1HPGDCTSSCTSKLMNA
SCHEMBL31149150 0.86 TRPA1 (0.47) ALDH1A1HPGDCTSSCTSKLMNA
SCHEMBL22040239 0.84 CYP17A1 (0.43) ALDH1A1HPGDCTSSCTSKLMNA
SCHEMBL23878339 0.84 CYP17A1 (0.43) ALDH1A1HPGDCTSSCTSKLMNA
SCHEMBL22039423 0.84 AAK1 (0.40) ALDH1A1HPGDCTSSCTSKLMNA
SCHEMBL22039536 0.84 AAK1 (0.40) ALDH1A1HPGDCTSSCTSKLMNA
SCHEMBL23878363 0.84 ALDH1A1 (0.47) ALDH1A1CTSSCTSKLMNANPC1
SCHEMBL22039756 0.84 ALDH1A1 (0.47) ALDH1A1CTSSCTSKLMNANPC1
SCHEMBL22039739 0.83 TRPA1 (0.42) ALDH1A1HPGDLMNATRPA1KDM4E
SCHEMBL22039758 0.83 TRPA1 (0.42) ALDH1A1HPGDLMNATRPA1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3889138-B1 HISTONE ACETYLASE P300 INHIBITOR AND USE THEREOF HINOVA PHARMACEUTICALS INC (CN) 2024-11-20 EP disclosed
EP-3889138-A1 HISTONE ACETYLASE P300 INHIBITOR AND USE THEREOF Hinova Pharmaceuticals Inc. (CN) 2021-10-06 EP disclosed