SCHEMBL8137491

SCHEMBL8137491

CCOC(=O)c1cc(SCl)c2c(c1C)C(SCC)CCO2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
GAA P10253 2/20 0.34
POLB P06746 2/20 0.34
HIF1A Q16665 1/20 0.34
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
FUCA1 P04066 2/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
GLB1 P16278 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ALDH1A1 P00352 3/20 0.31
HTR4 Q13639 2/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL8134482 0.87 FUCA1 (0.36) MAPTGAAPOLBHIF1AMAPK1
SCHEMBL8120149 0.73
SCHEMBL8072013 0.69 ALDH1A1 (0.37) MAPTGAAPOLBHIF1ALMNA
SCHEMBL8405173 0.65 KDM4E (0.32) MAPTGAAPOLBHIF1ALMNA
SCHEMBL6721449 0.64 ADORA3 (0.40) MAPTGAAPOLBHIF1ALMNA
SCHEMBL8133198 0.60 NPSR1 (0.37) MAPTGAALMNAAKR1C3AKR1C2
SCHEMBL8128982 0.59 MEN1 (0.32) MEN1KMT2ATDP1CA1CA2
SCHEMBL21189286 0.59 NPSR1 (0.38) MAPTGAAPOLBHIF1AMAPK1
SCHEMBL21189246 0.58 TSHR (0.43) MAPTGAALMNATHRBMEN1
SCHEMBL7749960 0.58 HTR4 (0.64) GAAMAPK1LMNATHRBALDH1A1

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
US-6159904-A Pyrazole derivatives IDEMITSU KOSAN CO., LTD. (JP) 2000-12-12 US disclosed
EP-0970956-A1 PYRAZOLE DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 2000-01-12 EP disclosed