SCHEMBL5829628

SCHEMBL5829628

CCC(C(=O)O)C(=O)c1ccc(SC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.47
▸ TAS1R1 Q7RTX1 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ PLK1 P53350 1/20 0.46
▸ HAO1 Q9UJM8 1/20 0.45
▸ SLC6A4 P31645 3/20 0.42
▸ FPR2 P25090 1/20 0.40
▸ KIF11 P52732 1/20 0.39
▸ AKR1C3 P42330 5/20 0.39
▸ AKR1C2 P52895 5/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ AKR1C1 Q04828 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 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
SCHEMBL28645447 0.80 TAS1R3 (0.49) TAS1R3TAS1R1HTTPLK1HAO1
SCHEMBL7884174 0.80 TAS1R3 (0.49) TAS1R3TAS1R1HTTPLK1HAO1
SCHEMBL16553310 0.79 LMNA (0.59) HTTSLC6A4LMNAHSD17B10MEN1
SCHEMBL2289091 0.79 ALDH1A1 (0.50) HTTSLC6A4LMNAHSD17B10MEN1
SCHEMBL442090 0.79 MDM2 (0.59) HTTLMNAHSD17B10MEN1KMT2A
SCHEMBL10852929 0.79 TAS1R3 (0.47) TAS1R3TAS1R1HTTPLK1HAO1
SCHEMBL904487 0.78 HTT (0.51) HTTLMNAHSD17B10KDM4EPOLB
SCHEMBL342966 0.78 GSK3B (0.48) HTTSLC6A4FPR2LMNAHSD17B10
SCHEMBL891617 0.78 PTPN1 (0.47) LMNAHSD17B10MEN1KMT2AATM
Fluoride SCHEMBL28046161 0.77 MDM2 (0.57) HTTLMNAHSD17B10MEN1KMT2A

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
US-7101873-B2 Pyrimidinedione derivatives BEXEL PHARMACEUTICALS INC. (US) 2006-09-05 — — US disclosed
Send feedback