SCHEMBL9538102

SCHEMBL9538102

COCC1=C(C(=O)O)N2C(=O)[C@H](Br)[C@H]2S1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.37
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SPOP O43791 1/20 0.33
NR1I2 O75469 2/20 0.31
HTR2C P28335 1/20 0.31
ESR1 P03372 1/20 0.31
PGR P06401 1/20 0.31
PTGS2 P35354 1/20 0.31
KDR P35968 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PTGS1 P23219 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30

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
SCHEMBL10426591 0.80 MEN1 (0.50) ELANETDP1KDM4ETSHRHSD17B10
SCHEMBL9353469 0.80 MEN1 (0.50) ELANETDP1KDM4ETSHRHSD17B10
SCHEMBL9349269 0.80 MEN1 (0.50) ELANETDP1KDM4ETSHRHSD17B10
SCHEMBL9617893 0.80 MEN1 (0.50) ELANETDP1KDM4ETSHRHSD17B10
SCHEMBL9349167 0.79 MEN1 (0.49) ELANETDP1KDM4ETSHRHSD17B10
SCHEMBL8889147 0.77 ELANE (0.46) ELANEKDM4EHSD17B10MEN1KMT2A
SCHEMBL8806354 0.76 ELANE (0.40) ELANETDP1PTGS1
SCHEMBL8809929 0.75 ELANE (0.38) ELANETDP1KDM4ETSHRHSD17B10
SCHEMBL11177496 0.72 ELANE (0.49) ELANETDP1KDM4ETSHRHSD17B10
SCHEMBL11564730 0.72 ELANE (0.49) ELANETDP1KDM4ETSHRHSD17B10

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
WO-1993003042-A1 6-ETHYLIDENE PENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1993-02-18 WO disclosed