SCHEMBL9793608

SCHEMBL9793608

CCOP(=O)(CCC(COC(C)=O)OCCl)OCC

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.39
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL8839568 0.79 PPARD (0.46) PPARDALDH1A1LMNAHSD17B10TSHR
SCHEMBL9019705 0.76 AR (0.41) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL9685475 0.75 PPARD (0.46) PPARDALDH1A1LMNAHSD17B10TSHR
SCHEMBL9685456 0.72 PPARD (0.40) PPARDALDH1A1LMNAHSD17B10TSHR
SCHEMBL9828135 0.72 AR (0.42) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL751991 0.69 PPARD (0.54) PPARDALDH1A1LMNAHSD17B10TSHR
SCHEMBL9827309 0.68 AR (0.37) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL5790139 0.68 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10TSHR
Ammonia Solution, Strong SCHEMBL28851800 0.68 PPARD (0.52) PPARDALDH1A1LMNAHSD17B10TSHR
SCHEMBL12582664 0.66 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10TSHR

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-5047533-A Viricides SRI INTERNATIONAL (US) 1991-09-10 US disclosed
EP-0309491-A1 ANTIVIRAL AGENTS SRI INTERNATIONAL (US) 1989-04-05 EP disclosed
WO-1988005438-A1 ANTIVIRAL AGENTS SRI INTERNATIONAL (US) 1988-07-28 WO disclosed