SCHEMBL10495019

SCHEMBL10495019

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY1 Q08828 12/20 0.59
MAPK1 P28482 5/20 0.59
CYP3A4 P08684 4/20 0.59
SLC2A1 P11166 4/20 0.59
TSHR P16473 3/20 0.59
NR1I2 O75469 2/20 0.59
ADRA1A P35348 2/20 0.59
KMT2A Q03164 2/20 0.59
CYP2C19 P33261 2/20 0.59
GMNN O75496 1/20 0.59
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
CYP2D6 P10635 1/20 0.59
NFKB1 P19838 1/20 0.59
HIF1A Q16665 1/20 0.59
CHRM2 P08172 1/20 0.59
ABCB1 P08183 1/20 0.59
HTR1A P08908 1/20 0.59
ADRA2A P08913 1/20 0.59

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
Hydrochloric Acid SCHEMBL9833412 0.99 ADCY1 (0.58) ADCY1MAPK1CYP3A4SLC2A1TSHR
SCHEMBL10915936 0.93 ADCY1 (0.57) ADCY1MAPK1CYP3A4SLC2A1TSHR
SCHEMBL10494978 0.93 ADCY1 (0.57) ADCY1MAPK1CYP3A4SLC2A1TSHR
Hydrochloric Acid SCHEMBL9738060 0.92 ADCY1 (0.57) ADCY1MAPK1CYP3A4SLC2A1TSHR
SCHEMBL7296322 0.90 ADCY1 (0.61) ADCY1MAPK1CYP3A4SLC2A1TSHR
SCHEMBL9583422 0.89 ADCY1 (0.75) ADCY1MAPK1CYP3A4SLC2A1TSHR
SCHEMBL9739101 0.88 ADCY1 (0.71) ADCY1MAPK1CYP3A4SLC2A1TSHR
SCHEMBL10583757 0.88 ADCY1 (0.63) ADCY1MAPK1CYP3A4SLC2A1TSHR
SCHEMBL9746707 0.88 ADCY1 (0.62) ADCY1MAPK1CYP3A4SLC2A1TSHR
SCHEMBL10920392 0.87 ADCY1 (0.77) ADCY1MAPK1CYP3A4SLC2A1TSHR

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-4851397-A LOWERING INTRAOCULAR PRESSURE HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1989-07-25 US claimed