SCHEMBL11512435

SCHEMBL11512435

C=C1C[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(C)=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.73
FNTB P49356 1/20 0.73
NR3C1 P04150 5/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
PGR P06401 4/20 0.63
AR P10275 3/20 0.63
CYP3A4 P08684 3/20 0.63
HIF1A Q16665 3/20 0.63
CYP2C19 P33261 3/20 0.63
CHRM1 P11229 2/20 0.63
MAPK1 P28482 2/20 0.63
NPSR1 Q6W5P4 2/20 0.63
ADORA3 P0DMS8 2/20 0.63
ALDH1A1 P00352 1/20 0.63
CHRM2 P08172 1/20 0.63
THRB P10828 1/20 0.63
TBXA2R P21731 1/20 0.63
ADRA1A P35348 1/20 0.63
USP2 O75604 1/20 0.63
LMNA P02545 4/20 0.58

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
SCHEMBL10868391 0.89 LMNA (0.72) FNTAFNTBNR3C1SMN1; SMN2PGR
SCHEMBL144436 0.89 LMNA (0.72) FNTAFNTBNR3C1SMN1; SMN2PGR
SCHEMBL1650395 0.89 LMNA (0.72) FNTAFNTBNR3C1SMN1; SMN2PGR
SCHEMBL11513690 0.88 LMNA (0.58) FNTAFNTBNR3C1SMN1; SMN2PGR
SCHEMBL11513687 0.88 LMNA (0.58) FNTAFNTBNR3C1SMN1; SMN2PGR
Acetic Acid SCHEMBL4521 0.87 LMNA (0.70) FNTAFNTBNR3C1SMN1; SMN2PGR
SCHEMBL30152035 0.84 LMNA (0.81) FNTAFNTBNR3C1SMN1; SMN2PGR
Chlormadinone SCHEMBL37291 0.83 PGR (0.78) FNTAFNTBNR3C1SMN1; SMN2PGR
Chlormadinone SCHEMBL13358512 0.83 PGR (0.78) FNTAFNTBNR3C1SMN1; SMN2PGR
SCHEMBL11517250 0.82 FNTA (0.66) FNTAFNTBNR3C1SMN1; SMN2PGR

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-4177269-A ANTITUMOR AGENTS AKTIEBOLAGET LEO (SE) 1979-12-04 US disclosed