SCHEMBL7697219

SCHEMBL7697219

CCC1=C(C(=O)OC)C(C(CC)CC)NC(=S)N1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 7/20 0.35
ADORA2B P29275 1/20 0.35
PTPN1 P18031 9/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PTPN2 P17706 2/20 0.31
HTT P42858 1/20 0.31
DHFR P00374 1/20 0.31

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
SCHEMBL7691835 0.69 ALDH1A1 (0.54) GAALMNAALDH1A1ADORA2BMAPT
SCHEMBL7696536 0.67 LMNA (0.52) GAALMNAALDH1A1ADORA2BDHFR
SCHEMBL14537801 0.64 ALDH1A1 (0.57) GAALMNAALDH1A1ADORA2BMAPT
SCHEMBL830786 0.59 FFAR3 (0.40) GAACYP2C9CYP2C19HTT
SCHEMBL10830282 0.59 ADORA3 (0.45) GAALMNAALDH1A1MAPTCYP2C9
SCHEMBL5359112 0.59 GAA (0.59) GAALMNAALDH1A1MAPTKDM4E
SCHEMBL14513188 0.58 ALDH1A1 (0.50) GAALMNAALDH1A1ADORA2BPTPN1
SCHEMBL6732466 0.56 ALDH1A1 (0.46) GAALMNAALDH1A1KDM4E
SCHEMBL11292115 0.55 TSHR (0.74) GAALMNAALDH1A1MAPTKDM4E
SCHEMBL11981426 0.55 GAA (0.69) GAALMNAALDH1A1ADORA2BMAPT

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
WO-2002066443-A2 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2002-08-29 WO claimed
WO-2002066443-A2 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2002-08-29 WO disclosed