SCHEMBL16748804

SCHEMBL16748804

CCCCOc1c[nH]c(C(=O)NCc2ccc(C(=O)O)cc2)cc1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.46
EPHX2 P34913 3/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
AKR1C3 P42330 1/20 0.44
PTGER4 P35408 1/20 0.43
PTGER2 P43116 1/20 0.43
PKM P14618 1/20 0.43
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARD Q03181 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
SCHEMBL15279003 0.81 DAO (0.43) LMNA
SCHEMBL9915491 0.77 SMYD3 (0.45) NR1H4LMNASMN1; SMN2TP53KMT2A
SCHEMBL9915434 0.76 NR1H4 (0.44) NR1H4EPHX2LMNASMN1; SMN2PTGER4
SCHEMBL16748696 0.76 PLA2G4B (0.43) TP53TSHR
SCHEMBL15279000 0.75 L3MBTL1 (0.41)
SCHEMBL9915326 0.73 LMNA (0.48) NR1H4EPHX2LMNASMN1; SMN2PTGER4
SCHEMBL9915484 0.72 MAPT (0.49) LMNASMN1; SMN2KMT2A
SCHEMBL9915516 0.72 PLA2G4B (0.41) TP53TSHR
SCHEMBL9915519 0.72 MEN1 (0.44) LMNASMN1; SMN2KMT2A
SCHEMBL16748652 0.71 MEN1 (0.42) NR1H4LMNASMN1; SMN2TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646436-B1 MONOBACTAMS PFIZER (US) 2015-05-27 EP disclosed