SCHEMBL9488355

SCHEMBL9488355

COC(=O)[C@H](C)Nc1ccccc1C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 4/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
KDM1A O60341 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
SCHEMBL8153691 1.00 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL9188668 0.86 KDM4E (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL3571719 0.84 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL1061793 0.83 AKR1C3 (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL1767596 0.83 AKR1C3 (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL31552440 0.80 AKR1C3 (0.46) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL12411070 0.80 AKR1C3 (0.46) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL3934515 0.80 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL28229441 0.79 KMT2A (0.49) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL19975181 0.78 ALDH1A1 (0.58) ALDH1A1KDM4EKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1612887-A Phosphino-aminophosphines EASTMAN CHEM CO (US) 2005-05-04 CN disclosed
EP-0198397-B1 METHOD OF PRODUCING L-PHENYLALANINE KURARAY CO., LTD. (JP) 1993-01-07 EP disclosed
US-4743547-A PURITY, ENZYME HYDROLYSIS KURARAY CO., LTD. (JP) 1988-05-10 US disclosed