SCHEMBL6985165

SCHEMBL6985165

COc1cc(CC(=O)CSC2CCCCC2)c(OC)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
QRFPR Q96P65 1/20 0.39
CYP3A4 P08684 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPOX P50336 1/20 0.37
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6983685 0.79 ACHE (0.47) TSHRALDH1A1NPC1RAB9ALMNA
SCHEMBL6702783 0.73 HTR4 (0.47) TSHRALDH1A1NPC1RAB9ALMNA
SCHEMBL6703970 0.71 ACHE (0.43) TSHRALDH1A1NPC1RAB9ALMNA
SCHEMBL6985171 0.68 TSHR (0.46) TSHRALDH1A1LMNAKMT2AKDM4E
SCHEMBL6987576 0.67 TSHR (0.43) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL11480696 0.66 PTGDR2 (0.46) MEN1KMT2A
SCHEMBL6699852 0.66 ACHE (0.47) TSHRALDH1A1LMNAKDM4EMAPT
SCHEMBL14309294 0.65 TAAR1 (0.63) TSHRALDH1A1NPC1RAB9ALMNA
SCHEMBL8132262 0.65 TAAR1 (0.51) TSHRNPC1RAB9AMEN1KMT2A
SCHEMBL6987698 0.65 NPSR1 (0.45) ALDH1A1NPC1RAB9ALMNAMEN1

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