SCHEMBL6985850

SCHEMBL6985850

COc1cc(C(C=O)SCC2CCCCC2)c(OC)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ACHE P22303 5/20 0.37
PPOX P50336 1/20 0.36
LMNA P02545 1/20 0.36
HTR4 Q13639 4/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL6989202 0.72 TSHR (0.39) TSHRACHEPPOXLMNATP53
SCHEMBL6699193 0.72 ACHE (0.46) TSHRACHELMNAHTR4KDM4E
SCHEMBL6699852 0.68 ACHE (0.47) TSHRACHELMNAHTR4KDM4E
SCHEMBL6985171 0.67 TSHR (0.46) TSHRPPOXLMNATP53PKM
SCHEMBL6983688 0.67 TSHR (0.46) TSHRPPOXLMNATP53PKM
SCHEMBL6987576 0.64 TSHR (0.43) TSHRACHELMNAHTR4KDM4E
SCHEMBL2481341 0.63 HTR4 (0.66) TSHRACHEHTR4SIGMAR1ALDH1A1
SCHEMBL2480715 0.62 TSHR (0.44) TSHRACHELMNAHTR4KDM4E
SCHEMBL2480716 0.62 TSHR (0.44) TSHRACHELMNAHTR4KDM4E
SCHEMBL8140543 0.62 KDM4E (0.43) TSHRACHELMNATP53PKM

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
EP-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed