SCHEMBL9870619

SCHEMBL9870619

C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@@]3(C)[C@@H](OC(C)=O)CCC(C)(C)[C@@H]3[C@@H](O)[C@H](OC(C)=O)[C@@]2(C)O1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY1 Q08828 14/20 0.85
MAPK1 P28482 5/20 0.85
CYP3A4 P08684 4/20 0.85
TSHR P16473 3/20 0.85
SLC2A1 P11166 2/20 0.85
NR1I2 O75469 2/20 0.85
ADRA1A P35348 2/20 0.85
KMT2A Q03164 2/20 0.85
CYP2C19 P33261 2/20 0.85
GMNN O75496 1/20 0.85
BLM P54132 1/20 0.85
PMP22 Q01453 1/20 0.85
NPSR1 Q6W5P4 1/20 0.85
CYP2D6 P10635 1/20 0.85
NFKB1 P19838 1/20 0.85
HIF1A Q16665 1/20 0.85
CHRM2 P08172 1/20 0.85
ABCB1 P08183 1/20 0.85
HTR1A P08908 1/20 0.85
ADRA2A P08913 1/20 0.85

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
SCHEMBL10513758 1.00 ADCY1 (0.85) ADCY1MAPK1CYP3A4TSHRSLC2A1
Colforsin SCHEMBL10409866 0.92 ADCY1 (1.00) ADCY1MAPK1CYP3A4TSHRSLC2A1
Colforsin SCHEMBL21530309 0.92 ADCY1 (1.00) ADCY1MAPK1CYP3A4TSHRSLC2A1
Colforsin SCHEMBL14614874 0.92 ADCY1 (1.00) ADCY1MAPK1CYP3A4TSHRSLC2A1
Colforsin SCHEMBL1517319 0.92 ADCY1 (1.00) ADCY1MAPK1CYP3A4TSHRSLC2A1
Colforsin SCHEMBL23750589 0.92 ADCY1 (1.00) ADCY1MAPK1CYP3A4TSHRSLC2A1
Colforsin SCHEMBL16342714 0.92 ADCY1 (1.00) ADCY1MAPK1CYP3A4TSHRSLC2A1
Colforsin SCHEMBL4917705 0.92 ADCY1 (1.00) ADCY1MAPK1CYP3A4TSHRSLC2A1
Colforsin SCHEMBL4928 0.92 ADCY1 (1.00) ADCY1MAPK1CYP3A4TSHRSLC2A1
Colforsin SCHEMBL8234478 0.92 ADCY1 (1.00) ADCY1MAPK1CYP3A4TSHRSLC2A1

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-5008407-A Method of synthesizing forskolin from 9-deoxyforskolin HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-04-16 US disclosed