SCHEMBL11114717

SCHEMBL11114717

O=C(O)CN1CC(N2C(=O)c3ccccc3C2=O)C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.53
CA9 Q16790 2/20 0.53
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.42
CYP2D6 P10635 2/20 0.42
TSHR P16473 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CHRM2 P08172 1/20 0.42
OPRM1 P35372 1/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
IKZF3 Q9UKT9 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL10861911 0.82 DDB1 (0.43) ALDH1A1POLBDDB1CRBNTDP1
SCHEMBL12589543 0.81 ACE (0.48) CA12CA9ALDH1A1KMT2APOLB
SCHEMBL11375707 0.81 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL3865826 0.80 ACE (0.49) CA12CA9TSHRKDM4EALOX15
SCHEMBL7357061 0.80 ACE (0.49) CA12CA9TSHRKDM4EALOX15
SCHEMBL9527011 0.79 NPSR1 (0.45) CA12CA9ALDH1A1KMT2APOLB
SCHEMBL2145784 0.79 CA12 (0.44) CA12CA9ALDH1A1KMT2APOLB
SCHEMBL8894328 0.77 CASP3 (0.50) CA12CA9ALDH1A1KMT2APOLB
SCHEMBL10378113 0.77 CA12 (0.36) CA12CA9KMT2AMEN1
SCHEMBL10378114 0.77 CA12 (0.36) CA12CA9KMT2AMEN1

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
US-4472300-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
US-4207234-A 4-Unsubstituted azetidinone derivatives and process for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-06-10 US disclosed