SCHEMBL11748250

SCHEMBL11748250

CC(C)CC(C)COC(=O)C=CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 12/20 0.52
▸ TSHR P16473 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ LAP3 P28838 2/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL11749700 0.92 TSHR (0.47) HCAR2TSHRALDH1A1ATMHPGD
SCHEMBL11748242 0.92 TSHR (0.47) HCAR2TSHRALDH1A1ATMHPGD
SCHEMBL15355365 0.92 TSHR (0.47) HCAR2TSHRALDH1A1ATMHPGD
SCHEMBL7022068 0.88 HCAR2 (0.59) HCAR2TSHRALDH1A1GAAATM
SCHEMBL809869 0.84 HCAR2 (0.59) HCAR2TSHRALDH1A1GAAATM
SCHEMBL809870 0.84 HCAR2 (0.59) HCAR2TSHRALDH1A1GAAATM
SCHEMBL2021411 0.84 HCAR2 (0.59) HCAR2TSHRALDH1A1GAAATM
SCHEMBL9576238 0.84 HCAR2 (0.50) HCAR2TSHRALDH1A1GAAATM
SCHEMBL1157452 0.83 HCAR2 (0.53) HCAR2TSHRALDH1A1GAAATM
SCHEMBL11747190 0.83 HCAR2 (0.59) HCAR2TSHRALDH1A1GAAATM

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-4048130-A COPOLYMERIZATION, UNSATURATED ACIDS LONZA LTD. (CH) 1977-09-13 — — US disclosed
Send feedback