SCHEMBL9855899

SCHEMBL9855899

Cc1ccccc1C(=O)NC(C)(C(N)=O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.41
TYK2 P29597 1/20 0.41
SCN5A Q14524 1/20 0.40
SCN2A Q99250 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ABCB1 P08183 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
SCHEMBL10674576 0.85 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL10811055 0.82 POLB (0.40) HPGDKMT2AMEN1ALDH1A1KDM4E
SCHEMBL10674834 0.80 GRM1 (0.44) KMT2AMEN1ALDH1A1KDM4E
SCHEMBL10679379 0.79 TSHR (0.41) KMT2AMEN1ALDH1A1KDM4EL3MBTL1
SCHEMBL5230905 0.77 HPGD (0.56) HPGDSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL9855344 0.75 HPGD (0.47) HPGDSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL10674816 0.74 SORT1 (0.43) KMT2AMEN1ALDH1A1KDM4E
SCHEMBL10652599 0.74 CNR2 (0.36) KMT2AMEN1ALDH1A1KDM4E
SCHEMBL9856220 0.74 HDAC8 (0.51) SMN1; SMN2KMT2AMEN1POLBNPC1
SCHEMBL17140457 0.72 KAT6A (0.47) HPGDSMN1; SMN2KMT2AMEN1ALDH1A1

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
EP-0158000-B1 REGIO AND OPTICAL ISOMERS OF IMIDAZOLINYL TOLUIC ACIDS, ESTERS AND SALTS, THEIR METHOD OF PREPARATION AND THEIR USE AS HERBICIDAL AGENTS AMERICAN CYANAMID COMPANY (US) 1991-06-19 EP claimed