SCHEMBL8383239

SCHEMBL8383239

CC(Oc1ccc(C(=O)O)cc1)C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.67
PARP10 Q53GL7 2/20 0.55
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
PARP15 Q460N3 1/20 0.52
MAPK1 P28482 1/20 0.49
POLB P06746 1/20 0.48
SRD5A2 P31213 1/20 0.47
CYP1A2 P05177 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
CYP2C19 P33261 1/20 0.47
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
TP53 P04637 2/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
PLA2G4B P0C869 1/20 0.44

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
SCHEMBL2234094 0.85 KMT2A (0.71) KMT2APARP10CA1CA2MAPK1
SCHEMBL29088631 0.84 ELANE (0.57) KMT2APARP10POLBSRD5A2CYP1A2
SCHEMBL7395765 0.84 KMT2A (0.65) KMT2APARP10CA1CA2PARP15
SCHEMBL1328578 0.82 GAA (0.56) KMT2APARP10POLBCYP1A2GAA
SCHEMBL8613306 0.81 PARP10 (0.48) KMT2APARP10CA1CA2POLB
SCHEMBL7074553 0.81 KMT2A (0.54) KMT2APARP10POLBCYP1A2GAA
SCHEMBL7074556 0.81 KMT2A (0.54) KMT2APARP10POLBCYP1A2GAA
SCHEMBL8612180 0.81 PARP10 (0.48) KMT2APARP10CA1CA2POLB
SCHEMBL15652500 0.81 PARP10 (0.48) KMT2APARP10MAPK1POLBCYP1A2
SCHEMBL31147135 0.81 PARP10 (0.48) KMT2APARP10MAPK1POLBCYP1A2

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-0703216-B1 Amidinophenol derivatives as protease inhibitors ONO PHARMACEUTICAL CO (JP) 1999-04-07 EP disclosed
EP-0703216-A1 Amidinophenol derivatives as protease inhibitors ONO PHARMACEUTICAL CO., LTD. (JP) 1996-03-27 EP disclosed