SCHEMBL8657602

SCHEMBL8657602

CC(=O)NC[C@H]1C=C(c2ccc(N3CCN(C(=O)CO)CC3)cc2)C(=O)O1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.42
MAPT P10636 8/20 0.38
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 2/20 0.38
SYK P43405 2/20 0.37
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
GFER P55789 1/20 0.36
POLB P06746 1/20 0.36
DGAT1 O75907 1/20 0.36
LMNA P02545 1/20 0.36
MAOA P21397 1/20 0.36
PTGS1 P23219 1/20 0.36
MAOB P27338 1/20 0.36
CALML3 P27482 1/20 0.36
SDHA P31040 1/20 0.36
RORC P51449 1/20 0.36
TP53 P04637 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
SCHEMBL8653697 0.90 ALDH1A1 (0.48) MAPTALDH1A1KMT2AMAPK1TP53
SCHEMBL8654828 0.89 ALDH1A1 (0.38) MAPTALDH1A1KMT2ASYKHTT
SCHEMBL8642619 0.89 ALDH1A1 (0.38) MAPTALDH1A1KMT2ASYKHTT
SCHEMBL8655270 0.88 ALDH1A1 (0.48) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL8656943 0.86 LMNA (0.47) MAPTALDH1A1POLBLMNAMAOA
SCHEMBL13855694 0.86 GFER (0.44) MAPTALDH1A1KMT2AHTTMEN1
SCHEMBL8642618 0.85 F10 (0.44) MAPTALDH1A1KMT2APOLBLMNA
SCHEMBL8654163 0.85 F10 (0.44) MAPTALDH1A1KMT2APOLBLMNA
SCHEMBL8643569 0.84 CTSL (0.39) ALDH1A1LMNAMAOAPTGS1MAOB
SCHEMBL8656349 0.84 MAOA (0.47) MAPTALDH1A1KMT2ALMNAMAOA

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-0858453-A1 5-(ACETAMIDOMETHYL)-3-ARYLDIHYDROFURAN-2-ONE AND TETRAHYDROFURAN-2-ONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY AstraZeneca AB (SE) 1998-08-19 EP disclosed
WO-1997014690-A1 5-(ACETAMIDOMETHYL)-3-ARYLDIHYDROFURAN-2-ONE AND TETRAHYDROFURAN-2-ONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY ZENECA LIMITED (GB) 1997-04-24 WO disclosed