SCHEMBL1902141

SCHEMBL1902141

CC(C)C[C@@H](C([NH])=O)N1C(=O)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
SLC1A2 P43004 2/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
MME P08473 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
LMNA P02545 2/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL15623808 0.83 ALDH1A1 (0.53) ALDH1A1PKMSMN1; SMN2SLC1A2MME
SCHEMBL5705701 0.76 SMN1; SMN2 (0.50) ALDH1A1PKMSMN1; SMN2MMESLC6A2
SCHEMBL542270 0.76 ALDH1A1 (0.50) ALDH1A1PKMSMN1; SMN2MMELMNA
SCHEMBL8763475 0.75 ALDH1A1 (0.38) ALDH1A1PKMSMN1; SMN2SLC1A2KMT2A
SCHEMBL5703427 0.74 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2KMT2AMEN1TAAR1
SCHEMBL2675329 0.74 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2KMT2AMEN1TAAR1
SCHEMBL9658608 0.74 MAPT (0.35) ALDH1A1PKMSMN1; SMN2SLC1A2KMT2A
SCHEMBL9658488 0.74 MAPT (0.35) ALDH1A1PKMSMN1; SMN2SLC1A2KMT2A
SCHEMBL3736109 0.69 ALDH1A1 (0.35) ALDH1A1PKMSMN1; SMN2KMT2AMEN1
SCHEMBL698898 0.67 ALDH1A1 (0.56) ALDH1A1PKMSMN1; SMN2SLC1A2KMT2A

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
US-20110117106-A1 USES OF CALPAIN INHIBITORS TO INHIBIT INFLAMMATION THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2011-05-19 US disclosed
EP-0546017-A1 SILAGE ADDITIVE ZENECA LIMITED (GB) 1993-06-16 EP disclosed
WO-1992003933-A1 SILAGE ADDITIVE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-19 WO disclosed