SCHEMBL9737438

SCHEMBL9737438

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY1 Q08828 14/20 0.75
MAPK1 P28482 5/20 0.66
CYP3A4 P08684 4/20 0.66
TSHR P16473 3/20 0.66
NR1I2 O75469 2/20 0.66
ADRA1A P35348 2/20 0.66
CYP2C19 P33261 2/20 0.66
KMT2A Q03164 2/20 0.66
MLNR O43193 1/20 0.66
KCNH2 Q12809 1/20 0.66
MEN1 O00255 1/20 0.66
ALDH1A1 P00352 1/20 0.66
CYP2C9 P11712 1/20 0.66
GMNN O75496 1/20 0.66
BLM P54132 1/20 0.66
PMP22 Q01453 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
CYP2D6 P10635 1/20 0.66
NFKB1 P19838 1/20 0.66
HIF1A Q16665 1/20 0.66

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
SCHEMBL7297913 0.91 MAPK1 (0.67) ADCY1MAPK1CYP3A4TSHRNR1I2
SCHEMBL11538072 0.91 ADCY1 (0.77) ADCY1MAPK1CYP3A4TSHRNR1I2
SCHEMBL9631043 0.91 ADCY1 (0.79) ADCY1MAPK1CYP3A4TSHRNR1I2
SCHEMBL9737049 0.90 ADCY1 (0.78) ADCY1MAPK1CYP3A4TSHRNR1I2
SCHEMBL7300026 0.90 ADCY1 (0.65) ADCY1MAPK1CYP3A4TSHRNR1I2
Hydrochloric Acid SCHEMBL10588367 0.89 ADCY1 (0.70) ADCY1MAPK1CYP3A4TSHRNR1I2
SCHEMBL11118724 0.88 ADCY1 (0.80) ADCY1MAPK1CYP3A4TSHRNR1I2
SCHEMBL8240684 0.88 ADCY1 (0.80) ADCY1MAPK1CYP3A4TSHRNR1I2
SCHEMBL4928148 0.88 ADCY1 (0.80) ADCY1MAPK1CYP3A4TSHRNR1I2
SCHEMBL7296382 0.88 MAPK1 (0.84) ADCY1MAPK1CYP3A4TSHRNR1I2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4963537-A REDUCE INTRAOCULAR PRESSURE HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-10-16 US claimed
US-5104985-A Rearrangement in the presence of an alkali metal bis (tris-lower alkyl silyl)amide HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-04-14 US disclosed
US-4963537-A REDUCE INTRAOCULAR PRESSURE HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-10-16 US disclosed
US-4851397-A LOWERING INTRAOCULAR PRESSURE HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1989-07-25 US disclosed
US-4771049-A REDUCING INTRAOCULAR PRESSURE HOECHST-ROUSSEL PHARMACEUTICALS (US) 1988-09-13 US disclosed
US-4677103-A REDUCING INTRAOCULAR PRESSURE HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1987-06-30 US disclosed
US-4639443-A INTRAOCULAR PRESSURE REDUCTION HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1987-01-27 US disclosed