SCHEMBL9817705

SCHEMBL9817705

COc1cc(COC(C)=O)c(OC)c(C)c1C

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 5/20 0.54
CYP3A4 P08684 3/20 0.42
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL13034124 0.82 TAAR1 (0.43) IMPDH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL26060390 0.80 CYP3A4 (0.57) IMPDH2CYP3A4ALDH1A1HSD17B10MEN1
SCHEMBL12396791 0.79 CYP3A4 (0.49) CYP3A4KDM4EALDH1A1HSD17B10MEN1
SCHEMBL13410941 0.77 ALDH1A1 (0.48) CYP3A4KDM4EALDH1A1HSD17B10KMT2A
SCHEMBL10603090 0.77 KDM4E (0.45) CYP3A4KDM4EALDH1A1HSD17B10MAPT
SCHEMBL10730178 0.77 CYP3A4 (0.50) CYP3A4KDM4EALDH1A1HSD17B10MEN1
SCHEMBL11330327 0.76 IMPDH2 (0.60) IMPDH2CYP3A4KDM4EALDH1A1HSD17B10
SCHEMBL10603089 0.76 ABCB11 (0.41) CYP3A4KDM4EALDH1A1HSD17B10KMT2A
SCHEMBL9817534 0.74 PDE4A (0.50) IMPDH2CYP3A4MEN1KMT2ARXFP1
SCHEMBL24104015 0.74 KDM4E (0.41) IMPDH2CYP3A4KDM4EALDH1A1HSD17B10

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
EP-0190740-B1 USE OF SUBSTITUTED QUINONE ELECTRON TRANSFER AGENTS IN ANALYTICAL DETERMINATIONS EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1991-11-27 EP disclosed
US-4746607-A MEDICAL DIAGNOSIS, DETECTION OF BACTERIA EASTMAN KODAK COMPANY (US) 1988-05-24 US disclosed
EP-0190740-A2 Use of substituted quinone electron transfer agents in analytical determinations EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1986-08-13 EP disclosed