SCHEMBL9040295

SCHEMBL9040295

CCC(=O)c1cc(C)ccc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
ALOX15 P16050 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSP90AB1 P08238 1/20 0.43
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
CSNK2A1 P68400 1/20 0.41
NOS2 P35228 1/20 0.40
CDC25B P30305 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
SCHEMBL9559780 0.85 MAPT (0.49) MAPTNPC1MAPK1HTTALOX15
SCHEMBL9043077 0.85 HSP90AB1 (0.47) MAPTNPC1MAPK1HTTALOX15
SCHEMBL8397350 0.83 RAB9A (0.53) MAPTNPC1MAPK1HTTALOX15
SCHEMBL9041388 0.82 MAPT (0.57) MAPTALOX15TDP1CYP3A4THRB
SCHEMBL5507340 0.81 MAPT (0.49) MAPTNPC1MAPK1HTTALOX15
SCHEMBL27712176 0.81 HTT (0.50) MAPTNPC1MAPK1HTTTDP1
SCHEMBL459040 0.81 HSP90AB1 (0.61) MAPTHTTALOX15TDP1CYP3A4
SCHEMBL30267852 0.81 HSP90AB1 (0.61) MAPTHTTALOX15TDP1CYP3A4
SCHEMBL28381250 0.81 ATM (0.46) MAPTNPC1MAPK1HTTALOX15
SCHEMBL31693367 0.80 MEN1 (0.65) MAPTNPC1MAPK1HTTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3911660-B1 PROCESS FOR PREPARATION OF 2-AMINO-5-HYDROXY PROPIOPHENONE LAURUS LABS LTD (IN) 2023-05-10 EP disclosed
WO-2020148641-A1 PROCESS FOR PREPARATION OF 2-AMINO-5-HYDROXY PROPIOPHENONE LAURUS LABS LIMITED (IN) 2020-07-23 WO disclosed
WO-2020079001-A1 COMPOUNDS FOR USE IN THE TREATMENT OF BACTERIAL INFECTIONS Universität Konstanz (DE) 2020-04-23 WO disclosed
EP-0471358-B1 Fluoroethylcamptothecin derivatives KYORIN SEIYAKU KK (JP) 1996-05-08 EP disclosed
EP-0325247-B1 CAMPTOTHECIN DERIVATIVES AND PROCESS FOR PREPARING SAME KABUSHIKI KAISHA YAKULT HONSHA (JP) 1993-05-19 EP disclosed
EP-0471358-A1 Fluoroethylcamptothecin derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 1992-02-19 EP disclosed
US-5061800-A ANTITUMOR AGENTS KABUSHIKI KAISHA YAKULT HONSHA (JP) 1991-10-29 US disclosed
EP-0325247-A1 Camptothecin derivatives and process for preparing same KABUSHIKI KAISHA YAKULT HONSHA (JP) 1989-07-26 EP disclosed