SCHEMBL9302114

SCHEMBL9302114

CC1(C)C2CC[C@]1(C)C(O)(c1cccc3ccccc13)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.41
SLC6A4 P31645 7/20 0.41
SLC6A2 P23975 6/20 0.41
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A1 P30531 1/20 0.36
SLC6A12 P48065 1/20 0.36
SLC6A11 P48066 1/20 0.36
PGR P06401 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL7604766 0.76 SLC6A1 (0.49) PLA2G1BATG4BSLC6A1SLC6A12SLC6A11
SCHEMBL4443505 0.76 SLC6A1 (0.49) PLA2G1BATG4BSLC6A1SLC6A12SLC6A11
SCHEMBL3416558 0.76 SLC6A1 (0.49) PLA2G1BATG4BSLC6A1SLC6A12SLC6A11
SCHEMBL9694982 0.72 SLC6A3 (0.41) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL9694987 0.72 SLC6A3 (0.41) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL6360946 0.70 NR3C1 (0.43) SLC6A4SLC6A2PLA2G1BATG4BKDM4E
SCHEMBL4668723 0.70 NR3C1 (0.43) SLC6A4SLC6A2PLA2G1BATG4BKDM4E
SCHEMBL4669632 0.70 NR3C1 (0.43) SLC6A4SLC6A2PLA2G1BATG4BKDM4E
SCHEMBL4443441 0.70 NR3C1 (0.43) SLC6A4SLC6A2PLA2G1BATG4BKDM4E
SCHEMBL4669637 0.70 NR3C1 (0.43) SLC6A4SLC6A2PLA2G1BATG4BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5369109-A Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-11-29 US disclosed
EP-0475627-B1 Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEM RES (JP) 1994-10-19 EP disclosed
US-5276154-A Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-01-04 US disclosed
EP-0475627-A1 Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-03-18 EP disclosed