SCHEMBL6904238

SCHEMBL6904238

CCCCc1cc(CCC(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.52
KMT2A Q03164 3/20 0.52
HSPA5 P11021 1/20 0.48
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
MEN1 O00255 2/20 0.41
VCAM1 P19320 3/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
AGTR1 P30556 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
NR5A2 O00482 1/20 0.39
NR5A1 Q13285 1/20 0.39
GLRA3 O75311 1/20 0.38
GLRB P48167 1/20 0.38

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
SCHEMBL11766653 0.95 GAA (0.50) GAAKMT2AHSPA5THRATHRB
SCHEMBL11015322 0.92 GAA (0.55) GAAKMT2AHSPA5THRATHRB
SCHEMBL7794810 0.88 HSPA5 (0.57) GAAKMT2AHSPA5MEN1VCAM1
SCHEMBL8405267 0.88 GAA (0.40) GAAKMT2AHSPA5THRATHRB
Octane SCHEMBL8468280 0.87 GAA (0.59) GAAKMT2ATHRATHRBMEN1
SCHEMBL9174972 0.87 GAA (0.59) GAAKMT2ATHRATHRBMEN1
SCHEMBL8405268 0.87 THRA (0.41) GAAKMT2AHSPA5THRATHRB
SCHEMBL4854721 0.87 THRA (0.49) THRATHRBALDH1A1LMNAHTT
Butane SCHEMBL11762703 0.85 GAA (0.64) GAAKMT2AMEN1VCAM1ALDH1A1
Stearic Acid SCHEMBL1592198 0.84 GAA (0.57) GAAKMT2ATHRATHRBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019188937-A1 VINYL CHLORIDE RESIN COMPOSITION FOR WATERPROOF SHEETS, AND WATERPROOF SHEET 株式会社ADEKA 2019-10-03 WO disclosed
EP-0926189-B1 A macromolecular material composition and a modifier for macromolecular material HITACHI CHEMICAL CO LTD (JP) 2004-04-14 EP disclosed
EP-0926189-A2 A macromolecular material composition and a modifier for macromolecular material HITACHI CHEMICAL CO., LTD. (JP) 1999-06-30 EP disclosed