SCHEMBL8858747

SCHEMBL8858747

CCOC(=O)[C@H]1CC[C@H](C(N)=S)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.43
HSD11B1 P28845 1/20 0.43
PPM1B O75688 1/20 0.42
PTPN1 P18031 1/20 0.42
PPP1CC P36873 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALOX15 P16050 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 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
SCHEMBL8858750 1.00 MAPT (0.49) MAPTALDH1A1KDM4EGAANPC1
SCHEMBL4221 0.85
SCHEMBL237380 0.85 MAPT (0.60) MAPTALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL8891623 0.85 MAPT (0.60) MAPTALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL2375356 0.85 MAPT (0.60) MAPTALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL8858743 0.84 GAA (0.59) MAPTALDH1A1GAAHSD11B1PPM1B
SCHEMBL8858745 0.84 GAA (0.59) MAPTALDH1A1GAAHSD11B1PPM1B
Hydrochloric Acid SCHEMBL28788727 0.83
Hydrochloric Acid SCHEMBL27635791 0.81 MAPT (0.56) MAPTALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL9238932 0.80 SOAT1 (0.42) MAPTALDH1A1KDM4EGAAALOX15

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
US-5607944-A ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-03-04 US disclosed