SCHEMBL29216352

SCHEMBL29216352

COC(=O)C=Cc1ccc(OCC=C(C)C)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
MEN1 O00255 1/20 0.57
NR1I2 O75469 1/20 0.57
LMNA P02545 1/20 0.57
PGR P06401 1/20 0.57
ADRB2 P07550 1/20 0.57
ADRB1 P08588 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
HPGD P15428 1/20 0.57
CNR1 P21554 1/20 0.57
TBXA2R P21731 1/20 0.57
SLC6A2 P23975 1/20 0.57
AGTR1 P30556 1/20 0.57
ADRA1A P35348 1/20 0.57
OPRD1 P41143 1/20 0.57
OPRK1 P41145 1/20 0.57
BLM P54132 1/20 0.57
SLC6A3 Q01959 1/20 0.57
KMT2A Q03164 1/20 0.57
NDUFS8 O00217 1/20 0.56

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
SCHEMBL29216351 1.00 MAPT (0.57) MAPTMEN1NR1I2LMNAPGR
SCHEMBL30105657 0.88 PTGES (0.59) MAPTMEN1NR1I2LMNAPGR
SCHEMBL30105600 0.88 PTGES (0.59) MAPTMEN1NR1I2LMNAPGR
SCHEMBL10424853 0.87 PTGES (0.60) MAPTMEN1NR1I2LMNAPGR
SCHEMBL10424852 0.87 PTGES (0.60) MAPTMEN1NR1I2LMNAPGR
SCHEMBL18292844 0.87 MEN1 (0.56) MAPTMEN1NR1I2LMNAPGR
SCHEMBL9369362 0.85 CA12 (0.58) MAPTLMNAKMT2ACA12CA1
SCHEMBL18265490 0.85 MEN1 (0.63) MAPTMEN1NR1I2LMNAPGR
SCHEMBL9369369 0.85 CA12 (0.58) MAPTLMNAKMT2ACA12CA1
SCHEMBL11582552 0.82 MAPT (0.64) MAPTMEN1NR1I2LMNAPGR

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
CN-117794534-A Compositions for modulating cortisol homeostasis and improving sleep quality and methods of use and preparation thereof 尤尼根公司 2024-03-29 CN disclosed