SCHEMBL8419455

SCHEMBL8419455

C=C[C@@]1(C)CC(=O)[C@]2(O)[C@@]3(C)C(O)CCC(C)(C)[C@@H]3[C@H](OC(=O)CCN3CCN(C)CC3)[C@H](OC(C)=O)[C@@]2(C)O1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.75
CYP3A4 P08684 4/20 0.75
TSHR P16473 3/20 0.75
NR1I2 O75469 2/20 0.75
ADRA1A P35348 2/20 0.75
CYP2C19 P33261 2/20 0.75
KMT2A Q03164 2/20 0.75
MLNR O43193 1/20 0.75
KCNH2 Q12809 1/20 0.75
MEN1 O00255 1/20 0.75
ALDH1A1 P00352 1/20 0.75
CYP2C9 P11712 1/20 0.75
ADCY1 Q08828 12/20 0.71
SLC2A1 P11166 3/20 0.68
GMNN O75496 1/20 0.68
BLM P54132 1/20 0.68
PMP22 Q01453 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
CYP2D6 P10635 1/20 0.68
NFKB1 P19838 1/20 0.68

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 SCHEMBL2232342 0.99 MAPK1 (0.74) MAPK1CYP3A4TSHRNR1I2ADRA1A
Hydrochloric Acid SCHEMBL8420725 0.93 MAPK1 (0.76) MAPK1CYP3A4TSHRNR1I2ADRA1A
Hydrochloric Acid SCHEMBL15667799 0.93 ADCY1 (0.78) MAPK1CYP3A4TSHRNR1I2ADRA1A
Hydrochloric Acid SCHEMBL8420765 0.93 MAPK1 (0.76) MAPK1CYP3A4TSHRNR1I2ADRA1A
Hydrochloric Acid SCHEMBL9584181 0.93 ADCY1 (0.78) MAPK1CYP3A4TSHRNR1I2ADRA1A
SCHEMBL7296304 0.92 MAPK1 (0.64) MAPK1CYP3A4TSHRNR1I2ADRA1A
SCHEMBL7326897 0.92 MAPK1 (0.64) MAPK1CYP3A4TSHRNR1I2ADRA1A
SCHEMBL7297358 0.91 MAPK1 (0.62) MAPK1CYP3A4TSHRNR1I2ADRA1A
SCHEMBL16181423 0.88 MAPK1 (0.83) MAPK1CYP3A4TSHRNR1I2ADRA1A
SCHEMBL7305520 0.88 MAPK1 (0.59) MAPK1CYP3A4TSHRNR1I2ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869523-A Process for the preparation of 6-(substitutedaminopropionyl)-derivatives of forskolin HOECHST AKTIENGESELLSCHAFT (DE) 1999-02-09 US disclosed
EP-0468445-B1 Process for preparation of 6-(substituted-aminopropionyl)-derivates of forskolin HOECHST AG (DE) 1996-01-10 EP disclosed
EP-0468445-A1 Process for preparation of 6-(substituted-aminopropionyl)-derivates of forskolin HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-29 EP disclosed