SCHEMBL9872997

SCHEMBL9872997

CC1=C(C(=O)O)C(c2ccccc2/C=C/C(=O)OC2CCCCC2C)C(C(=O)O)=C(C)N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
NR1I2 O75469 1/20 0.51
PGR P06401 1/20 0.51
CYP3A4 P08684 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CYP2C9 P11712 1/20 0.51
SLC6A2 P23975 1/20 0.51
TBXAS1 P24557 1/20 0.51
CYP2C19 P33261 1/20 0.51
DRD3 P35462 1/20 0.51
OPRK1 P41145 1/20 0.51
PDE4D Q08499 1/20 0.51
KCNH2 Q12809 1/20 0.51
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CACNA1B Q00975 7/20 0.37
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL9872999 1.00 LMNA (0.51) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL9874319 0.87 NR1I2 (0.52) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL9874306 0.87 NR1I2 (0.52) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL9873154 0.86 LMNA (0.51) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL9873166 0.86 LMNA (0.51) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL9871528 0.80 ADORA3 (0.57) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL9871535 0.80 ADORA3 (0.57) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL8595497 0.79 LMNA (0.76) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL8595500 0.79 LMNA (0.76) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL10495738 0.79 LMNA (0.76) LMNAHTTNR1I2PGRCYP3A4

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-5011848-A Cardiovascular disorders, hypotensive agents GLAXO, S.P.A. (IT) 1991-04-30 US disclosed
US-4801599-A CARDIOVASCULAR DISORDERS, HYPOTENSIVE AGENTS GLAXO S.P.A. (IT) 1989-01-31 US disclosed