SCHEMBL9423866

SCHEMBL9423866

C=CCNN(CCCCC)CCCCC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
TSHR P16473 6/20 0.42
ALDH1A1 P00352 3/20 0.40
DNM1 Q05193 3/20 0.39
ZDHHC20 Q5W0Z9 2/20 0.33
ZDHHC2 Q9UIJ5 2/20 0.33
THRB P10828 1/20 0.32
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL2364576 0.89 FAAH (0.39) FAAHTSHRALDH1A1DNM1ZDHHC20
SCHEMBL11617998 0.85 TSHR (0.35) FAAHTSHRALDH1A1
SCHEMBL3674964 0.79
SCHEMBL7688797 0.77 FAAH (0.41) FAAHTSHRALDH1A1DNM1ZDHHC20
SCHEMBL5365307 0.76 FAAH (0.36) FAAHTSHRALDH1A1DNM1ADH1C
SCHEMBL7688794 0.76 FAAH (0.40) FAAHTSHRALDH1A1DNM1ZDHHC20
SCHEMBL5823693 0.74 TSHR (0.37) FAAHTSHRALDH1A1DNM1ZDHHC20
SCHEMBL9421760 0.74 DNM1 (0.46) TSHRALDH1A1DNM1THRBCA12
SCHEMBL695561 0.73 FAAH (0.45) FAAHTSHRALDH1A1ZDHHC20ZDHHC2
SCHEMBL2361409 0.72 DNM1 (0.43) TSHRALDH1A1DNM1THRBADH1C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5300500-A 4 beta-amino podophyllotoxin analog compounds and methods THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1994-04-05 US disclosed
WO-1993022319-A1 4-BETA-AMINO PODOPHYLLOTOXIN DERIVATIVES ANTITUMOR AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1993-11-11 WO disclosed