SCHEMBL8779972

SCHEMBL8779972

O=C1C2CCC(C2)C1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.42
AKR1C1 Q04828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC18A3 Q16572 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SRD5A1 P18405 1/20 0.35
LMNA P02545 1/20 0.35
NR3C1 P04150 1/20 0.35

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
SCHEMBL29642529 1.00 AKR1C3 (0.42) AKR1C3AKR1C1SMN1; SMN2GAAMAPT
SCHEMBL16582761 1.00 AKR1C3 (0.42) AKR1C3AKR1C1SMN1; SMN2GAAMAPT
SCHEMBL16568791 1.00 AKR1C3 (0.42) AKR1C3AKR1C1SMN1; SMN2GAAMAPT
SCHEMBL17997343 1.00 AKR1C3 (0.42) AKR1C3AKR1C1SMN1; SMN2GAAMAPT
SCHEMBL6568328 0.75 TP53 (0.45) SMN1; SMN2GAAALDH1A1HPGDHSD17B10
SCHEMBL16582723 0.69 AKR1C3 (0.36) AKR1C3AKR1C1GAAMAPTALDH1A1
SCHEMBL21558150 0.69 AKR1C3 (0.36) AKR1C3AKR1C1GAAMAPTALDH1A1
SCHEMBL16582715 0.69 AKR1C3 (0.36) AKR1C3AKR1C1GAAMAPTALDH1A1
SCHEMBL8779970 0.69 F2 (0.42) SMN1; SMN2LMNA
SCHEMBL10843954 0.69 SMN1; SMN2 (0.65) SMN1; SMN2GAAMAPTALDH1A1MEN1

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
EP-0528694-B1 Method for producing optically active 3-substituted-2-norbornanones and their intermediates CHISSO CORP (JP) 1997-04-09 EP disclosed
US-5266728-A Method for producing optically active 3-substituted-2-norbornanones and their intermediates CHISSO CORPORATION (JP) 1993-11-30 US disclosed
EP-0528694-A2 Method for producing optically active 3-substituted-2-norbornanones and their intermediates CHISSO CORPORATION (JP) 1993-02-24 EP disclosed