SCHEMBL4029783

SCHEMBL4029783

CCCC(OCC)c1ccc(OCCn2c(C)ccc2-c2ccc(C)s2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
PDE4A P27815 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
FFAR1 O14842 7/20 0.34
PPARG P37231 2/20 0.34
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 2/20 0.31
SLC2A1 P11166 1/20 0.31
MAPT P10636 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL4026154 0.92 PGR (0.38) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL4028903 0.92 PGR (0.40) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL4026186 0.88 PGR (0.38) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL4034169 0.86 PGR (0.38) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL4028898 0.80 PGR (0.44) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL6076665 0.79 PGR (0.45) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL4028900 0.78 PGR (0.48) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL4026152 0.78 PGR (0.46) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL6076658 0.77 PGR (0.57) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL1338276 0.77 PGR (0.67) PGRADORA3CHRM1TBXA2RPTGS1

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-1569916-B1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD (IN) 2009-01-07 EP claimed