SCHEMBL5699002

SCHEMBL5699002

CCc1ccc(O)c(CCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.52
BACE1 P56817 1/20 0.50
ALOX15 P16050 4/20 0.49
IGF1R P08069 1/20 0.49
HPGD P15428 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 3/20 0.48
TP53 P04637 2/20 0.48
CYP3A4 P08684 2/20 0.48
HIF1A Q16665 2/20 0.48
ALOX12 P18054 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CKS1B P61024 1/20 0.48
SKP2 Q13309 1/20 0.48
AKR1B1 P15121 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FFAR1 O14842 1/20 0.44

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
SCHEMBL9487127 0.89 ALOX15 (0.60) BACE1ALOX15IGF1RHPGDHSD17B10
SCHEMBL29138367 0.85 IGF1R (0.57) BACE1ALOX15IGF1RHPGDALDH1A1
SCHEMBL8409386 0.84 ALOX15 (0.50) ALOX15IGF1RHPGDALDH1A1HSD17B10
SCHEMBL4517872 0.84 MEN1 (0.61) TRPA1BACE1ALOX15HPGDHSD17B10
SCHEMBL8409251 0.82 IGF1R (0.58) ALOX15IGF1RALDH1A1HSD17B10TP53
SCHEMBL1021610 0.81 TRPA1 (0.59) TRPA1BACE1ALOX15HPGDALDH1A1
SCHEMBL8683200 0.80 HTT (0.53) TRPA1ALOX15IGF1RHPGDALDH1A1
SCHEMBL1426624 0.79 EGFR (0.60) ALOX15IGF1RHPGDALDH1A1HSD17B10
SCHEMBL9243499 0.79 BACE1 (0.50) BACE1ALOX15IGF1RHPGDHSD17B10
SCHEMBL8702688 0.79 TAAR1 (0.50) TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101707914-B Resin composition TEIJIN LTD 2012-12-12 CN disclosed
CN-101707914-A Resin composition TEIJIN LTD 2010-05-12 CN disclosed
EP-1675814-A1 PHENOXYETHER DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-07-05 EP disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005037763-A1 PHENOXYETHER DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-04-28 WO disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed