SCHEMBL6598744

SCHEMBL6598744

CC1CCCCC1(CCC(=O)O)c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.38
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
SLC6A2 P23975 1/20 0.37
CHRM3 P20309 1/20 0.36
SLC6A3 Q01959 1/20 0.35
HPGD P15428 3/20 0.35
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL6599116 0.75 SLC6A3 (0.42) TSHRLMNASLC6A2CHRM3SLC6A3
SCHEMBL8138800 0.71 CHRM3 (0.38) TSHRLMNASLC6A2CHRM3SLC6A3
SCHEMBL6597123 0.71 SLC6A2 (0.41) TSHRLMNASLC6A2CHRM3SLC6A3
SCHEMBL5507381 0.71 SLC6A2 (0.38) KCNA3TSHRLMNASLC6A2CHRM3
SCHEMBL6916553 0.71 CHRM3 (0.48) TSHRLMNASLC6A2CHRM3SLC6A3
SCHEMBL11590160 0.70 HPGD (0.38) TSHRLMNASLC6A2HPGDALDH1A1
SCHEMBL8189527 0.69 LMNA (0.41) TSHRLMNASLC6A2CHRM3ALDH1A1
SCHEMBL11587373 0.68 TBXAS1 (0.35) KCNA3TSHRSLC6A2CHRM3HPGD
SCHEMBL6595863 0.68 SLC6A3 (0.50) TSHRLMNASLC6A2CHRM3SLC6A3
SCHEMBL11591012 0.67 ALDH1A1 (0.43) TSHRLMNASLC6A2HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915867-B1 THIENYLCYCLOHEXANE DERIVATIVES FOR THIENYLCYCLOHEXYL SYNTHESIS SOD CONSEILS RECH APPLIC (FR) 2004-10-06 EP claimed