SCHEMBL8892997

SCHEMBL8892997

CC(=O)N(c1ccccc1)N1CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
POLB P06746 2/20 0.38
PKM P14618 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
APAF1 O14727 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL10672523 0.76 NAAA (0.40) ALDH1A1KMT2AMEN1
SCHEMBL12473809 0.74 ALDH1A1 (0.46) ALDH1A1POLBPKMCYP2C9CYP2D6
SCHEMBL9804356 0.73 KMT2A (0.35) ALDH1A1POLBPKMCYP2C9CYP1A2
SCHEMBL18428973 0.72 ALDH1A1 (0.45) ALDH1A1POLBPKMKMT2AMEN1
SCHEMBL28929645 0.71 ALDH1A1 (0.49) ALDH1A1POLBPKMCYP2C9CYP1A2
SCHEMBL5717885 0.70 SIGMAR1 (0.45) ALDH1A1POLBKMT2A
SCHEMBL23142498 0.70 ALDH1A1 (0.45) ALDH1A1POLBPKMCYP2C9CYP1A2
SCHEMBL11243325 0.70 GAA (0.38) ALDH1A1POLBPKMCYP2C9CYP2D6
Hydrochloric Acid SCHEMBL5849112 0.69 SIGMAR1 (0.44) ALDH1A1POLBKMT2A
SCHEMBL11711601 0.68 NPSR1 (0.39) ALDH1A1POLBPKMKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997042170-A1 A PROCESS FOR THE PREPARATION OF AZETIDINONES BIOCHIMICA OPOS S.P.A. (IT) 1997-11-13 WO disclosed
US-4775670-A BACTERICIDES, ANTIBIOTICS E. R. SQUIBB & SONS, INC. (US) 1988-10-04 US disclosed
US-4529698-A Culturing Chromobacterium E. R. SQUIBB & SONS, INC. (US) 1985-07-16 US disclosed
EP-0048096-A1 Beta-lactam antibacterial agents BEECHAM GROUP PLC (GB) 1982-03-24 EP disclosed