SCHEMBL6794137

SCHEMBL6794137

CC(C)(C)N(C(=O)O)[C@@H](CSc1ccccc1)CN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
FKBP1A P62942 1/20 0.46
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
HSD17B10 Q99714 2/20 0.44
HTT P42858 2/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
HIF1A Q16665 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL28548120 0.79 MEN1 (0.49) LMNAALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL28548118 0.79 MEN1 (0.49) LMNAALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL2950945 0.75 FKBP1A (0.50) LMNAALDH1A1FKBP1ARAB9ANPC1
SCHEMBL6790854 0.74 SMN1; SMN2 (0.43) ALDH1A1FKBP1ARAB9ANPC1SMN1; SMN2
SCHEMBL6790851 0.74 SMN1; SMN2 (0.43) ALDH1A1FKBP1ARAB9ANPC1SMN1; SMN2
SCHEMBL6792263 0.73 MTNR1A (0.38) ALDH1A1RAB9ANPC1HTTMEN1
SCHEMBL6792267 0.73 MTNR1A (0.38) ALDH1A1RAB9ANPC1HTTMEN1
SCHEMBL22409405 0.71 ALDH1A1 (0.39) ALDH1A1RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL2950930 0.71 FKBP1A (0.47) LMNAALDH1A1FKBP1ARAB9ANPC1
SCHEMBL6987291 0.70 MTNR1A (0.42) LMNAALDH1A1HTTMEN1KMT2A

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
US-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US disclosed