SCHEMBL28074185

SCHEMBL28074185

O=C(O)CC(O)Cc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.50
MMP2 P08253 2/20 0.48
MMP9 P14780 2/20 0.48
MMP12 P39900 2/20 0.48
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
CPA1 P15085 3/20 0.46
TRPA1 O75762 2/20 0.46
FFAR1 O14842 2/20 0.46
MMP13 P45452 1/20 0.45
MMP14 P50281 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
CPB1 P15086 1/20 0.43
CPA3 P15088 1/20 0.43
CPB2 Q96IY4 1/20 0.43
ACE P12821 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL1861755 0.82 TRPA1 (0.65) MMP2MMP9MMP12CPA1TRPA1
SCHEMBL6138407 0.82 TRPA1 (0.65) MMP2MMP9MMP12CPA1TRPA1
SCHEMBL10535065 0.82 TRPA1 (0.65) MMP2MMP9MMP12CPA1TRPA1
SCHEMBL4258389 0.81 MMP12 (0.68) MMP2MMP9MMP12FFAR1MMP13
SCHEMBL1139516 0.81 MMP12 (0.68) MMP2MMP9MMP12FFAR1MMP13
SCHEMBL6463393 0.81 KMT2A (0.49) MMP2MMP9MMP12PPARGPPARA
SCHEMBL28823710 0.81 MME (0.49) MMEMMP2MMP9MMP12PPARG
SCHEMBL6464257 0.81 PPARG (0.53) MMEPPARGPPARATRPA1
SCHEMBL6803856 0.81 KMT2A (0.49) MMP2MMP9MMP12PPARGPPARA
SCHEMBL379630 0.79 MMP12 (0.70) MMP2MMP9MMP12PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106029672-B serine/threonine kinase inhibitors 基因泰克公司 2019-03-29 CN disclosed
CN-106029672-A Serine/threonine kinase inhibitors 基因泰克公司 2016-10-12 CN disclosed