SCHEMBL8885472

SCHEMBL8885472

COC(=O)C1CCC(N(C)C(=O)c2cc(-c3ccc(C#N)cc3)ccc2O)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.38
GPR119 Q8TDV5 1/20 0.38
FASN P49327 1/20 0.37
MELK Q14680 1/20 0.36
SMO Q99835 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TBK1 Q9UHD2 1/20 0.35
MMP2 P08253 1/20 0.34
PAX8 Q06710 1/20 0.34
MCHR1 Q99705 2/20 0.34
TMPRSS4 Q9NRS4 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
MAP4K4 O95819 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
TNIK Q9UKE5 1/20 0.34

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
SCHEMBL8885573 0.85 EGLN1 (0.48) EGLN1GPR119FASNSMOMCHR1
SCHEMBL8885229 0.82 F2 (0.40) FASNMELK
Hydrochloric Acid SCHEMBL8887677 0.82 F2 (0.37) MELK
SCHEMBL8949169 0.77 EGLN1 (0.43) EGLN1GPR119MELKSMOKDM4E
SCHEMBL8949164 0.77 EGLN1 (0.43) EGLN1GPR119MELKSMOKDM4E
SCHEMBL8886068 0.71 PDE4A (0.40) MELK
SCHEMBL8885770 0.71 MCL1 (0.41) MELK
SCHEMBL9177754 0.70 MAPT (0.49) GPR119
SCHEMBL9185327 0.70 ITGB3 (0.38)
SCHEMBL8949132 0.70 KCNH2 (0.43) EGLN1GPR119KDM4EMMP2PAX8

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
US-5597825-A AGGREGATION INHIBITORS DR. KARL THOMAE GMBH (DE) 1997-01-28 US disclosed
EP-0496378-B1 Biphenylderivatives, drugs containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1995-09-20 EP disclosed
EP-0496378-A1 Biphenylderivatives, drugs containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-07-29 EP disclosed