SCHEMBL9700206

SCHEMBL9700206

CCC(C)Oc1cccc(C(=O)OC(=O)c2cccc(OC(C)CC)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.42
MTNR1A P48039 7/20 0.42
MTNR1B P49286 7/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL9700210 0.95 ALDH1A1 (0.47) ALDH1A1TSHRKMT2AMEN1GAA
SCHEMBL755467 0.89 SMN1; SMN2 (0.50) ALDH1A1TSHRKMT2AMEN1MTNR1A
SCHEMBL4857337 0.89 SMN1; SMN2 (0.50) ALDH1A1TSHRKMT2AMEN1MTNR1A
SCHEMBL930888 0.88 CYP4F2 (0.50) ALDH1A1TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL931250 0.85 KMT2A (0.59) ALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL11744228 0.81 GSK3B (0.49) ALDH1A1TSHRKMT2AMEN1GAA
SCHEMBL11665507 0.80 GPBAR1 (0.55) ALDH1A1TSHRGAAMTNR1AMTNR1B
SCHEMBL9987068 0.80 KMT2A (0.51) ALDH1A1TSHRKMT2AMEN1MTNR1A
SCHEMBL9987065 0.80 KMT2A (0.51) ALDH1A1TSHRKMT2AMEN1MTNR1A
SCHEMBL12124925 0.77 TAS1R3 (0.53) ALDH1A1KMT2AMEN1LMNAMTNR1A

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
EP-0507576-A1 Polypropylene-based resin compositions TOSOH CORPORATION (JP) 1992-10-07 EP disclosed