SCHEMBL6983688

SCHEMBL6983688

COc1cc(C(CC(C)=O)C2CCCCC2)c(OC)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
SLC6A3 Q01959 2/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
STAT3 P40763 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
VKORC1 Q9BQB6 2/20 0.38
PPOX P50336 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL8140543 0.95 KDM4E (0.43) TSHRKDM4EMAPTHTTLMNA
SCHEMBL8143426 0.86 HTT (0.40) TSHRKDM4EMAPTHTTLMNA
SCHEMBL3843668 0.86 HTT (0.40) TSHRKDM4EMAPTHTTLMNA
SCHEMBL3843016 0.84 HTT (0.39) TSHRKDM4EMAPTHTTLMNA
SCHEMBL3849979 0.82 TSHR (0.48) TSHRKDM4EMAPTHTTLMNA
SCHEMBL6985171 0.74 TSHR (0.46) TSHRKDM4EMAPTHTTLMNA
SCHEMBL8124540 0.72 TSHR (0.43) TSHRKDM4EMAPTHTTLMNA
SCHEMBL23216550 0.68 QDPR (0.41) TSHRKDM4EMAPTSLC6A3TP53
SCHEMBL29745351 0.68 QDPR (0.41) TSHRKDM4EMAPTSLC6A3TP53
SCHEMBL6989202 0.68 TSHR (0.39) TSHRKDM4EMAPTHTTLMNA

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