SCHEMBL16720862

SCHEMBL16720862

CCCCOC(C(=O)O)C(CCCC)(OCCCC)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
ATM Q13315 1/20 0.30
CA2 P00918 1/20 0.30
MAPK1 P28482 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
SCHEMBL284646 0.81 GPR84 (0.34) TSHRHPGDALDH1A1HCAR2ATM
SCHEMBL10933728 0.79 CA2 (0.36) HPGDALDH1A1HCAR2ATMCA2
SCHEMBL18007391 0.76 GPR84 (0.31) ALDH1A1
SCHEMBL17821128 0.76 GPR84 (0.31) ALDH1A1
SCHEMBL29061780 0.73 GPR84 (0.37) HPGDHCAR2
SCHEMBL29061782 0.73 GPR84 (0.37) HPGDHCAR2
SCHEMBL9753360 0.73 GPR84 (0.37) HPGDHCAR2
SCHEMBL8595353 0.73 CES2 (0.38) TSHRHPGDALDH1A1TP53HCAR2
SCHEMBL690601 0.73 HSPD1 (0.46) HPGDCA2MAPK1
SCHEMBL3284825 0.72 ALDH1A1 (0.40) TSHRHPGDALDH1A1TP53HCAR2

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
EP-3068831-B1 ACCELERATOR COMPOSITIONS AND METHODS ROBINSON BROS LTD (GB) 2019-06-19 EP disclosed
US-10000623-B2 Accelerator compositions and methods ROBINSON BROTHERS LIMITED (GB) 2018-06-19 US disclosed
EP-3068831-A1 ACCELERATOR COMPOSITIONS AND METHODS ROBINSON BROTHERS LIMITED (GB) 2016-09-21 EP disclosed
US-20160264760-A1 ACCELERATOR COMPOSITIONS AND METHODS ROBINSON BROTHERS LIMITED (GB) 2016-09-15 US disclosed
WO-2015071641-A1 ACCELERATOR COMPOSITIONS AND METHODS ROBINSON BROTHERS LIMITED (GB) 2015-05-21 WO disclosed