SCHEMBL8307322

SCHEMBL8307322

COC(=O)c1ccc(C)c2c1SCCO2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.36
ALDH1A1 P00352 7/20 0.36
HSD17B10 Q99714 3/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK4 Q16654 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL8523797 0.87 ALDH1A1 (0.35) KDM4EALDH1A1HSD17B10LMNAMAPK1
SCHEMBL8310758 0.84 HSD17B10 (0.38) KDM4EALDH1A1HSD17B10LMNAMEN1
SCHEMBL8306726 0.80 KDM4E (0.34) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL19621515 0.79 KDM4E (0.49) KDM4EALDH1A1HSD17B10LMNAMEN1
SCHEMBL8309840 0.77 MTNR1A (0.32) HSD17B10MEN1KMT2AMAPK1MTNR1A
SCHEMBL13315457 0.76 KDM4E (0.43) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL8310030 0.76 TSHR (0.40) KDM4EALDH1A1HSD17B10MAPK1HPGD
SCHEMBL6583525 0.75 MTNR1A (0.50) KDM4EALDH1A1HSD17B10LMNAMEN1
SCHEMBL8312017 0.75 LMNA (0.47) KDM4EALDH1A1HSD17B10LMNAMEN1
SCHEMBL8307279 0.73 CYP4F2 (0.42) KDM4EALDH1A1HSD17B10KMT2AMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948485-A1 PESTICIDAL 1-ARYLPYRAZOLES RHONE-POULENC AGROCHIMIE (FR) 1999-10-13 EP disclosed
EP-0918056-A1 Herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1999-05-26 EP disclosed
WO-1998028278-A1 PESTICIDAL 1-ARYLPYRAZOLES RHONE-POULENC AGROCHIMIE (FR) 1998-07-02 WO disclosed