SCHEMBL1748129

SCHEMBL1748129

CCC(CC)(C(=O)O)C(=O)OCCOC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
PTPN1 P18031 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
ARG1 P05089 1/20 0.30
ARG2 P78540 1/20 0.30

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
SCHEMBL452622 0.83 HCAR2 (0.41) TSHRALDH1A1GAARAB9APTPN1
SCHEMBL9065316 0.80 MEN1 (0.32) TSHRMEN1KMT2ACHRM2CHRM1
SCHEMBL9065697 0.80 MEN1 (0.32) TSHRMEN1KMT2ACHRM2CHRM1
SCHEMBL455718 0.80 ALDH1A1 (0.48) TSHRALDH1A1L3MBTL1
SCHEMBL9065849 0.80 CHRM2 (0.34) TSHRALDH1A1MEN1KMT2ACHRM2
SCHEMBL456197 0.79 MEN1 (0.48) TSHRALDH1A1GAAL3MBTL1MEN1
SCHEMBL11034348 0.78 NAAA (0.47) TSHRALDH1A1
SCHEMBL221073 0.78 PTPN1 (0.40) TSHRALDH1A1GAAPTPN1MEN1
SCHEMBL9472810 0.77 NAAA (0.50) TSHRALDH1A1
SCHEMBL7681803 0.77 NAAA (0.50) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013166-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER HEALTHCARE LLC (US) 2011-09-06 US disclosed
EP-1633722-B1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2011-08-03 EP disclosed