SCHEMBL21891718

SCHEMBL21891718

CCN(C(=O)c1ccccc1CC(=O)O)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.49
AKR1B1 P15121 1/20 0.43
PTGS2 P35354 4/20 0.43
NR1H4 Q96RI1 2/20 0.42
CLCN2 P51788 2/20 0.40
CXCL8 P10145 4/20 0.39
AKR1B10 O60218 1/20 0.39
UGT1A9 O60656 1/20 0.39
TRPA1 O75762 1/20 0.39
ABCB11 O95342 1/20 0.39
MT-CO2 P00403 1/20 0.39
TTR P02766 1/20 0.39
ALB P02768 1/20 0.39
UGT1A6 P19224 1/20 0.39
UGT1A1 P22309 1/20 0.39
PTGS1 P23219 1/20 0.39
CXCR1 P25024 1/20 0.39
ADRA1A P35348 1/20 0.39
AGTR2 P50052 1/20 0.39
NR1I3 Q14994 1/20 0.39

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
SCHEMBL21891696 0.81 ALDH1A1 (0.48) CLCN2TDP1SLC6A2MEN1HTT
SCHEMBL12928360 0.78 TSHR (0.54) SLC6A2KMT2ATP53
SCHEMBL18301798 0.77 BCAT2 (0.57) BCAT2AKR1B1PTGS2NR1H4CXCL8
SCHEMBL14134492 0.77 MEN1 (0.58) BCAT2SLC6A2MEN1KMT2A
SCHEMBL12086331 0.76 MEN1 (0.46) MEN1HTTKMT2ATP53
SCHEMBL12086360 0.75 ALDH1A1 (0.53) SLC6A2MEN1HTTKMT2AL3MBTL1
SCHEMBL21891716 0.73 BCAT2 (0.53) BCAT2AKR1B1PTGS2NR1H4CXCL8
SCHEMBL6555816 0.71 BCAT2 (0.62) BCAT2AKR1B1PTGS2CLCN2CXCL8
SCHEMBL17278851 0.71 TSHR (0.44) TDP1MEN1HTTKMT2AL3MBTL1
2-Carboxybenzeneacetic Acid SCHEMBL27477 0.70 AKR1B1 (0.61) BCAT2AKR1B1TDP1HTTTP53

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
WO-2020054226-A1 PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM, LAMINATE, METHOD FOR PRODUCING CURED FILM, AND SEMICONDUCTOR DEVICE 富士フイルム株式会社 2020-03-19 WO disclosed