SCHEMBL9051706

SCHEMBL9051706

C1CC[C](NCCC2CCCC2)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
SIGMAR1 Q99720 3/20 0.36
EPHX1 P07099 1/20 0.36
KDM1A O60341 3/20 0.35
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CYP1A2 P05177 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
NAMPT P43490 1/20 0.33
GSK3B P49841 1/20 0.31
GBA1 P04062 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL4621542 0.71 NAMPT (0.46) CA2SIGMAR1EPHX1KDM1AMAOA
SCHEMBL3919489 0.69 PTGER4 (0.32)
SCHEMBL6224721 0.68 KDM1A (0.50) SIGMAR1EPHX1KDM1AMAOAMAOB
SCHEMBL716430 0.67 SIGMAR1 (0.48) SIGMAR1EPHX1KDM1AMAOAMAOB
SCHEMBL24767234 0.67 KDM1A (0.53) SIGMAR1EPHX1KDM1AMAOAMAOB
SCHEMBL5329436 0.67 KLK7 (0.48) EPHX1NPC1RAB9ANAMPT
SCHEMBL22694642 0.67 KDM1A (0.53) SIGMAR1EPHX1KDM1AMAOAMAOB
SCHEMBL1680312 0.65
SCHEMBL10080302 0.65
SCHEMBL1823573 0.65

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
WO-1996035422-A1 METHODS FOR INHIBITING BONE LOSS ELI LILLY AND COMPANY (US) 1996-11-14 WO disclosed