SCHEMBL7589385

SCHEMBL7589385

CC(=O)OC(C(=O)OC(C)(C)C)C(C)C=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
GALR3 O60755 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CTSK P43235 3/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL7591214 0.81 CTSK (0.32) CTSK
SCHEMBL28067386 0.81 TSHR (0.41) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL28067385 0.81 TSHR (0.41) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7597304 0.79 TSHR (0.39) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7591223 0.76 ALDH1A1 (0.41) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL18206237 0.76 DGAT1 (0.38) TSHRSMN1; SMN2GAA
SCHEMBL7590972 0.74 HCAR2 (0.38) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL23397671 0.74 TSHR (0.34) TSHR
SCHEMBL18207060 0.74 TSHR (0.34) TSHR
SCHEMBL18207058 0.74 TSHR (0.34) TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1116267-C Process for producing branched aldehydes KURARAY CO (JP) 2003-07-30 CN disclosed
EP-0867427-B1 Process for producing branched aldehydes KURARAY CO (JP) 2002-11-06 EP disclosed
US-5932761-A Process for producing branched aldehydes KURARAY CO., LTD. (JP) 1999-08-03 US disclosed
CN-1197788-A Process for producing branched aldehydes KURARAY CO (JP) 1998-11-04 CN disclosed
EP-0867427-A1 Process for producing branched aldehydes KURARAY CO., LTD. (JP) 1998-09-30 EP disclosed