SCHEMBL28823710

SCHEMBL28823710

O=C(O)C[C@@H](O)Cc1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.49
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
TRPA1 O75762 1/20 0.46
POLB P06746 1/20 0.46
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45
MMP14 P50281 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
CPA1 P15085 2/20 0.43
CPB1 P15086 1/20 0.43
CPA3 P15088 1/20 0.43
CPB2 Q96IY4 1/20 0.43
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 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
SCHEMBL11833496 0.95 MMP12 (0.53) MMEPPARGPPARATRPA1POLB
SCHEMBL6138407 0.82 TRPA1 (0.65) TRPA1POLBMMP2MMP9MMP12
SCHEMBL10535065 0.82 TRPA1 (0.65) TRPA1POLBMMP2MMP9MMP12
SCHEMBL1861755 0.82 TRPA1 (0.65) TRPA1POLBMMP2MMP9MMP12
SCHEMBL28074185 0.81 MME (0.50) MMEPPARGPPARATRPA1MMP2
SCHEMBL6463393 0.81 KMT2A (0.49) PPARGPPARATRPA1MMP2MMP9
SCHEMBL6803856 0.81 KMT2A (0.49) PPARGPPARATRPA1MMP2MMP9
SCHEMBL6464257 0.81 PPARG (0.53) MMEPPARGPPARATRPA1
SCHEMBL2036369 0.79 ANPEP (0.50) MMEPPARGPPARAPOLBCPA1
SCHEMBL1699496 0.79 MME (0.49) MMEPOLB

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
CN-105087682-A Method for biologically producing (S)-hydroxyl bromophenyl methyl propionate UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-11-25 CN claimed
CN-105087682-A Method for biologically producing (S)-hydroxyl bromophenyl methyl propionate UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-11-25 CN disclosed
CN-105087682-A Method for biologically producing (S)-hydroxyl bromophenyl methyl propionate UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-11-25 CN disclosed