SCHEMBL8939174

SCHEMBL8939174

CCOP(=O)(CCOCCOC(C)=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
TSHR P16473 3/20 0.57
PPARD Q03181 2/20 0.47
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
THRB P10828 1/20 0.38
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34
CHRNB2 P17787 1/20 0.34
TBXA2R P21731 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL751991 0.89 PPARD (0.54) ALDH1A1TSHRPPARDLMNAHSD17B10
Ammonia Solution, Strong SCHEMBL28851800 0.87 PPARD (0.52) ALDH1A1TSHRPPARDLMNAHSD17B10
SCHEMBL4881306 0.84 PPARD (0.56) ALDH1A1TSHRPPARDCA12CA1
SCHEMBL4882046 0.84 PPARD (0.56) ALDH1A1TSHRPPARDCA12CA1
SCHEMBL8401424 0.84 ALDH1A1 (0.59) ALDH1A1TSHRPPARDLMNAHSD17B10
SCHEMBL15869117 0.83 ALDH1A1 (0.53) ALDH1A1TSHRPPARDLMNAHSD17B10
SCHEMBL4884897 0.83 PPARD (0.44) ALDH1A1TSHRPPARDTHRBCA12
SCHEMBL9644675 0.81 ALDH1A1 (0.52) ALDH1A1TSHRPPARDLMNAHSD17B10
SCHEMBL23430674 0.81 PPARD (0.52) ALDH1A1TSHRPPARDTHRBCYP3A4
SCHEMBL13291953 0.80 ALDH1A1 (0.50) ALDH1A1TSHRPPARDLMNAHSD17B10

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-5532228-A ANTITUMOR, PSORIASIS SCHERING AKTIENGESELLSCHAFT (DE) 1996-07-02 US disclosed