SCHEMBL9475264

SCHEMBL9475264

CC1=C(C(=O)O)C(c2ccccc2OCc2ccccc2)N(C(=O)O)C(=S)N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CACNA1F O60840 5/20 0.45
CACNA1D Q01668 5/20 0.45
CACNA1S Q13698 5/20 0.45
CACNA1C Q13936 5/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 4/20 0.43
TP53 P04637 1/20 0.42
SRD5A2 P31213 1/20 0.41
KDM4E B2RXH2 3/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 2/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL9475421 0.85 ALDH1A1 (0.48) POLBSMN1; SMN2CACNA1FCACNA1DCACNA1S
SCHEMBL9475783 0.80 LMNA (0.55) POLBCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9475842 0.80 CACNA1F (0.47) POLBCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9474962 0.78 CACNA1F (0.63) POLBSMN1; SMN2CACNA1FCACNA1DCACNA1S
SCHEMBL10961726 0.78 POLB (0.54) POLBSMN1; SMN2KMT2AMEN1TP53
SCHEMBL9475672 0.76 CACNA1F (0.44) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL9474870 0.75 CACNA1C (0.65) CACNA1FCACNA1DCACNA1SCACNA1CKMT2A
SCHEMBL7384493 0.75 CACNA1C (0.65) CACNA1FCACNA1DCACNA1SCACNA1CKMT2A
SCHEMBL9475571 0.75 CACNA1F (0.65) CACNA1FCACNA1DCACNA1SCACNA1CKMT2A
SCHEMBL9652537 0.75 POLB (0.51) POLBSMN1; SMN2KMT2AMEN1TP53

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
US-5202330-A Hypotensive and cardiovascular agent, reduces blood pressure in mammals E. R. SQUIBB & SONS, INC. (US) 1993-04-13 US disclosed
EP-0204317-A2 2-Thio or oxo-4-aryl or heterocyclo-1,5(2H)-pyrimidinedicarboxylic acid diesters and 3-acyl-5-pyrimidinecarboxylic acids and esters E.R. Squibb & Sons, Inc. (US) 1986-12-10 EP disclosed