SCHEMBL10909359

SCHEMBL10909359

COc1ccc(OC(C)=O)c(CCC(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
HSD17B10 Q99714 2/20 0.55
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
ELANE P08246 1/20 0.48
ALDH1A1 P00352 2/20 0.48
BACE1 P56817 1/20 0.48
FOS P01100 1/20 0.47
JUN P05412 1/20 0.47
ADRA1A P35348 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44

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
SCHEMBL30436820 0.88 HSD17B10 (0.71) POLBHSD17B10MTNR1AMTNR1BADRA1A
SCHEMBL491188 0.88 HSD17B10 (0.71) POLBHSD17B10MTNR1AMTNR1BADRA1A
SCHEMBL6902374 0.83 ELANE (0.47) POLBELANEFOSJUNKDM4E
SCHEMBL11706717 0.81 KDM4E (0.50) MTNR1AMTNR1BALDH1A1BACE1KDM4E
SCHEMBL9854773 0.81 MTNR1B (0.54) HSD17B10MTNR1AMTNR1BBACE1HPGD
SCHEMBL6902841 0.81 FFAR1 (0.51) POLBELANEALDH1A1FOSJUN
SCHEMBL7368806 0.80 POLB (0.79) POLBHSD17B10MTNR1AMTNR1BALDH1A1
SCHEMBL7369145 0.79 POLB (0.63) POLBHSD17B10MTNR1AMTNR1BALDH1A1
SCHEMBL10908806 0.79 ALDH1A1 (0.50) HSD17B10MTNR1AMTNR1BALDH1A1BACE1
SCHEMBL11433418 0.79 HSD17B10 (0.67) POLBHSD17B10MTNR1AMTNR1BADRA1A

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-4596828-A Topical MERCK & CO., INC. (US) 1986-06-24 US disclosed