SCHEMBL11316587

SCHEMBL11316587

CCCCC(CC)CC(C(C)=O)(C(=O)O)C(O)(CC(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.38
BLM P54132 1/20 0.38
HSPE1 P61604 1/20 0.38
CA2 P00918 4/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP3A4 P08684 2/20 0.34
ATM Q13315 1/20 0.34
ACLY P53396 2/20 0.33
MAPK1 P28482 1/20 0.33
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP14 P50281 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
SCHEMBL11020850 0.81 HSPD1 (0.40) HSPD1BLMHSPE1CA2ALDH1A1
SCHEMBL5718430 0.78 CA2 (0.47) HSPD1BLMHSPE1CA2ALDH1A1
SCHEMBL11550445 0.78 CA2 (0.36) CA2ALDH1A1TSHRTDP1CYP3A4
SCHEMBL7168252 0.77 ACLY (0.40) HSPD1BLMHSPE1ALDH1A1TSHR
SCHEMBL11334720 0.76 HSPD1 (0.35) HSPD1BLMHSPE1CA2ALDH1A1
SCHEMBL4969138 0.76 ALDH1A1 (0.45) HSPD1BLMHSPE1CA2ALDH1A1
SCHEMBL15321745 0.75 HSPD1 (0.42) HSPD1BLMHSPE1ALDH1A1TSHR
SCHEMBL44319 0.74 CA2 (0.47) HSPD1BLMHSPE1CA2ALDH1A1
SCHEMBL1218841 0.74 CYP3A4 (0.37) HSPD1BLMHSPE1CA2ALDH1A1
SCHEMBL2802518 0.73 CA2 (0.46) HSPD1BLMHSPE1CA2ALDH1A1

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
US-10927233-B2 Stabilized plasticizers for thermoplastic polyurethane BASF SE (DE) 2021-02-23 US disclosed
EP-3099725-A1 STABILIZED PLASTICIZERS FOR THERMOPLASTIC POLYURETHANE BASF SE (DE) 2016-12-07 EP disclosed
WO-2015113874-A1 STABILIZED PLASTICIZERS FOR THERMOPLASTIC POLYURETHANE BASF SE (DE) 2015-08-06 WO disclosed
EP-0003568-B1 COMPOSITION COMPRISING OPTICAL BRIGHTENING AGENTS FOR USE IN THE WHITENING OF PAPER COATING COMPOSITIONS BAYER AG (DE) 1982-06-02 EP disclosed
EP-0003568-A1 Composition comprising optical brightening agents for use in the whitening of paper coating compositions BAYER AG (DE) 1979-08-22 EP disclosed