SCHEMBL9413746

SCHEMBL9413746

O=C(O)C(=O)N1CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
KMT2A Q03164 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
CYP2C19 P33261 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL17377711 0.86 LMNA (0.57) LMNAKMT2ACYP2D6CYP2C9POLB
SCHEMBL2225143 0.79
SCHEMBL15233814 0.76 LMNA (0.44) LMNAITGB1ITGA4KMT2ACYP2D6
SCHEMBL12764294 0.75 ITGB1 (0.38) LMNAITGB1ITGA4KMT2ACYP2D6
SCHEMBL11167675 0.73 ITGB1 (0.37) LMNAITGB1ITGA4KMT2ACYP2D6
SCHEMBL13430349 0.73 ITGB1 (0.37) LMNAITGB1ITGA4KMT2ACYP2D6
SCHEMBL6538147 0.72
SCHEMBL4728242 0.72
SCHEMBL14140164 0.72
SCHEMBL9744059 0.72 LMNA (0.34) LMNAITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0597401-A2 Production of penem Takeda Chemical Industries, Ltd. (JP) 1994-05-18 EP disclosed
US-4751297-A ANTIBIOTIC INTERMEDIATES PFIZER INC. (US) 1988-06-14 US disclosed