SCHEMBL10690883

SCHEMBL10690883

C=C[C@@]1(C)CC(=O)[C@H]2[C@](C)(O1)[C@@H](OC(=O)C(C)C)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY1 Q08828 14/20 0.49
MAPK1 P28482 4/20 0.49
SLC2A1 P11166 4/20 0.49
CYP3A4 P08684 3/20 0.49
TSHR P16473 2/20 0.49
GMNN O75496 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP2D6 P10635 1/20 0.49
NFKB1 P19838 1/20 0.49
HIF1A Q16665 1/20 0.49
NR1I2 O75469 1/20 0.49
CHRM2 P08172 1/20 0.49
ABCB1 P08183 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
HTR2A P28223 1/20 0.49
ADRA1A P35348 1/20 0.49
SCN1A P35498 1/20 0.49

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
SCHEMBL21779505 0.90 ADCY1 (0.60) ADCY1MAPK1SLC2A1CYP3A4TSHR
SCHEMBL9870844 0.90 ADCY1 (0.60) ADCY1MAPK1SLC2A1CYP3A4TSHR
SCHEMBL18601237 0.90 ADCY1 (0.60) ADCY1MAPK1SLC2A1CYP3A4TSHR
SCHEMBL13639992 0.90 ADCY1 (0.60) ADCY1MAPK1SLC2A1CYP3A4TSHR
SCHEMBL11117898 0.90 ADCY1 (0.60) ADCY1MAPK1SLC2A1CYP3A4TSHR
SCHEMBL12028527 0.90 ADCY1 (0.60) ADCY1MAPK1SLC2A1CYP3A4TSHR
SCHEMBL10020759 0.90 ADCY1 (0.60) ADCY1MAPK1SLC2A1CYP3A4TSHR
SCHEMBL6469176 0.90 ADCY1 (0.60) ADCY1MAPK1SLC2A1CYP3A4TSHR
SCHEMBL10685388 0.85 ADCY1 (0.46) ADCY1MAPK1SLC2A1CYP3A4TSHR
SCHEMBL10690569 0.85 ADCY1 (0.47) ADCY1MAPK1SLC2A1CYP3A4TSHR

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-4782082-A BRONCHODILATORS, ANTIHISTAMINES SCHERING CORPORATION (US) 1988-11-01 US disclosed
US-4517200-A Method for treating allergic reactions with forskolin SCHERING-PLOUGH CORPORATION (US) 1985-05-14 US disclosed