SCHEMBL8910482

SCHEMBL8910482

C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C(O)C[C@]3(C)[C@H]1[C@@H]2C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.77
SLCO1B3 Q9NPD5 1/20 0.77
SLCO1B1 Q9Y6L6 1/20 0.77
USP2 O75604 4/20 0.66
LMNA P02545 2/20 0.66
THRB P10828 1/20 0.66
MAPT P10636 2/20 0.55
CYP3A4 P08684 1/20 0.55
PTPN1 P18031 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
EIF4A3 P38919 1/20 0.53
EIF4A1 P60842 1/20 0.53
EIF4A2 Q14240 1/20 0.53
EBP Q15125 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP2C19 P33261 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SLC22A2 O15244 1/20 0.41

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
SCHEMBL8504695 1.00 KDM4E (0.77) KDM4ESLCO1B3SLCO1B1USP2LMNA
SCHEMBL8770526 1.00 KDM4E (0.77) KDM4ESLCO1B3SLCO1B1USP2LMNA
SCHEMBL29634911 0.90 KDM4E (0.65) KDM4ESLCO1B3SLCO1B1USP2LMNA
Tigogenin SCHEMBL15335258 0.87 KDM4E (1.00) KDM4ESLCO1B3SLCO1B1USP2LMNA
Tigogenin SCHEMBL21548986 0.87 KDM4E (1.00) KDM4ESLCO1B3SLCO1B1USP2LMNA
Tigogenin SCHEMBL24239067 0.87 KDM4E (1.00) KDM4ESLCO1B3SLCO1B1USP2LMNA
Tigogenin SCHEMBL12504599 0.87 KDM4E (1.00) KDM4ESLCO1B3SLCO1B1USP2LMNA
Tigogenin SCHEMBL22766044 0.87 KDM4E (1.00) KDM4ESLCO1B3SLCO1B1USP2LMNA
Tigogenin SCHEMBL12946605 0.87 KDM4E (1.00) KDM4ESLCO1B3SLCO1B1USP2LMNA
Tigogenin SCHEMBL12793576 0.87 KDM4E (1.00) KDM4ESLCO1B3SLCO1B1USP2LMNA

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-5703052-A HYPOCHOLESTEROLEMIC AGENTS PFIZER INC. (US) 1997-12-30 US disclosed