SCHEMBL4011260

SCHEMBL4011260

O=CC(Cl)Cc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.41
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
IDO1 P14902 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
CPA1 P15085 1/20 0.38
LMNA P02545 2/20 0.36
MME P08473 2/20 0.36
ACE P12821 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL10974668 0.81 SLC6A4 (0.50) PPARGPPARAIDO1MMETAAR1
SCHEMBL29120226 0.80 TAAR1 (0.42) TAAR1MAOB
SCHEMBL10974742 0.79 MME (0.40) PPARGPPARAIDO1MMETAAR1
SCHEMBL29138730 0.79 FAAH (0.44) LMNA
SCHEMBL3981780 0.79 TP53 (0.43) PPARGPPARAIDO1TAAR1MAOB
SCHEMBL3045013 0.78 EPHX1 (0.50) CPA1LMNAACETAAR1
SCHEMBL8693276 0.78 TRPA1 (0.44) TRPA1PPARGPPARAIDO1LOXL2
SCHEMBL15317143 0.78 EPHX1 (0.50) CPA1LMNAACETAAR1
SCHEMBL21395003 0.77 SLC1A1 (0.46) PPARGPPARAIDO1LMNATAAR1
SCHEMBL16966281 0.76 ALDH1A1 (0.41) PPARGPPARALMNA

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
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed
WO-2009085256-A1 ANTI-HIV COMPOUNDS PANACOS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed
WO-2009085256-A1 ANTI-HIV COMPOUNDS PANACOS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed
EP-0220044-A2 4(4-oxo-1,4-dihydropyridin-1-yl)phenyl derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-04-29 EP disclosed