SCHEMBL7433122

SCHEMBL7433122

COC(=O)[C@@H]1C[C@H](C(=O)O)N[C@@H]1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
CYP2D6 P10635 2/20 0.44
CYP1A2 P05177 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 3/20 0.44
ATM Q13315 1/20 0.42
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39

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
SCHEMBL7433120 1.00 POLB (0.45) POLBCYP2D6CYP1A2HSD17B10CYP3A4
SCHEMBL7433127 1.00 POLB (0.45) POLBCYP2D6CYP1A2HSD17B10CYP3A4
SCHEMBL8954369 0.93 HSD17B10 (0.46) POLBCYP2D6CYP1A2HSD17B10CYP3A4
SCHEMBL8899635 0.85 RECQL (0.40) CYP2D6CYP1A2HSD17B10CYP3A4TSHR
SCHEMBL2804427 0.84 CYP2D6 (0.45) CYP2D6CYP1A2HSD17B10TSHRMAPK1
SCHEMBL8668280 0.83 CYP2C19 (0.42) POLBCYP2D6CYP1A2HSD17B10TSHR
SCHEMBL21436384 0.80 SIGMAR1 (0.34) CYP2D6HSD17B10CYP3A4CYP2C19MEN1
SCHEMBL8668373 0.79 LMNA (0.40) POLBCYP2D6CYP1A2HSD17B10CYP3A4
SCHEMBL6073531 0.79 SLC6A4 (0.47) POLBCYP2D6CYP1A2HSD17B10CYP3A4
SCHEMBL6074184 0.79 SLC6A4 (0.47) POLBCYP2D6CYP1A2HSD17B10CYP3A4

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-0384636-A1 Pharmaceutically active compounds FISONS plc (GB) 1990-08-29 EP disclosed