SCHEMBL28696232

SCHEMBL28696232

CC(=O)OCCC(Cc1cccc(Br)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 9/20 0.45
CPA3 P15088 2/20 0.42
PTGES O14684 2/20 0.42
ALOX5 P09917 2/20 0.42
PPARG P37231 2/20 0.42
HCAR2 Q8TDS4 1/20 0.42
CYP1A2 P05177 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL1114423 0.84 CYP1A2 (0.59) FOLH1CPA3PTGESALOX5PPARG
SCHEMBL397390 0.79 FOLH1 (0.68) FOLH1CPA3
SCHEMBL5972546 0.77 FOLH1 (0.52) FOLH1CPA3PTGESALOX5PPARG
SCHEMBL14852200 0.77 MAOB (0.49) HCAR2MAOB
SCHEMBL1814454 0.76 CYP1A2 (0.50) FOLH1CPA3CYP1A2
SCHEMBL1818938 0.76 CYP1A2 (0.50) FOLH1CPA3CYP1A2
SCHEMBL399275 0.76 CYP1A2 (0.44) FOLH1PTGESCYP1A2MAOB
SCHEMBL6171750 0.75 TAAR1 (0.47) FOLH1PTGESCYP1A2
SCHEMBL18064380 0.75 ALDH1A1 (0.47) HCAR2MAOB
SCHEMBL10795863 0.74 ALDH1A1 (0.61) HCAR2CYP1A2MAOB

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
CN-108366940-B Biaromatic vitamin D analogs 帝斯曼知识产权资产管理有限公司 2022-01-14 CN disclosed