SCHEMBL9700210

SCHEMBL9700210

CCC(C)Oc1cccc(C(=O)OC(=O)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 1/20 0.47
MTNR1A P48039 7/20 0.47
MTNR1B P49286 7/20 0.47
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
MAPT P10636 2/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42

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
SCHEMBL9700206 0.95 ALDH1A1 (0.47) ALDH1A1TSHRMTNR1AMTNR1BLMNA
SCHEMBL9987065 0.85 KMT2A (0.51) ALDH1A1TSHRMTNR1AMTNR1BKMT2A
SCHEMBL9987068 0.85 KMT2A (0.51) ALDH1A1TSHRMTNR1AMTNR1BKMT2A
SCHEMBL4857337 0.85 SMN1; SMN2 (0.50) ALDH1A1TSHRMTNR1AMTNR1BSMN1; SMN2
SCHEMBL755467 0.85 SMN1; SMN2 (0.50) ALDH1A1TSHRMTNR1AMTNR1BSMN1; SMN2
SCHEMBL931250 0.84 KMT2A (0.59) ALDH1A1TSHRSMN1; SMN2KMT2A
SCHEMBL930888 0.84 CYP4F2 (0.50) ALDH1A1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL28377152 0.80 ESR1 (0.49) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL447347 0.78 CES2 (0.65) ALDH1A1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL27549287 0.78 MTNR1A (0.54) ALDH1A1TSHRMTNR1AMTNR1BLMNA

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