SCHEMBL8917799

SCHEMBL8917799

COC(=O)CCC(=O)CC1COC(C)(C)O1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.41
TSHR P16473 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TMEM97 Q5BJF2 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
NAMPT P43490 3/20 0.32
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PRKCA P17252 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4528384 0.85 CA2 (0.46) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL4526320 0.85 CA2 (0.46) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL25961260 0.83 CA2 (0.44) CA2TSHRALDH1A1NPSR1TMEM97
SCHEMBL15786354 0.83 CA2 (0.44) CA2TSHRALDH1A1NPSR1TMEM97
SCHEMBL28924707 0.83 CA2 (0.44) CA2TSHRALDH1A1NPSR1TMEM97
SCHEMBL21135291 0.82 CA2 (0.48) CA2TSHRLMNAALDH1A1NPSR1
SCHEMBL24326321 0.80 TSHR (0.42) CA2TSHRALDH1A1NPSR1TMEM97
SCHEMBL1842907 0.80 TSHR (0.42) CA2TSHRALDH1A1NPSR1TMEM97
SCHEMBL8257934 0.78 CTDSP1 (0.41) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL10391550 0.78 CA2 (0.45) CA2ALDH1A1NPSR1TMEM97SIGMAR1

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-5696248-A GENE EXPRESSION INHIBITOR, AS PROBES FOR DETECTING NUCLEIC ACIDS, AS VIRICIDES TREATING VIRAL DISEASE CAUSED BY HTLV, INFLUENZA, HEPATITIS VIRUS, PAPILLOMA VIRUS HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-09 US disclosed