SCHEMBL28593243

SCHEMBL28593243

O=CCc1ccccc1-c1ccccc1.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.52
KMT2A Q03164 1/20 0.48
FOLH1 Q04609 1/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PTGER1 P34995 2/20 0.39
PTGER4 P35408 2/20 0.39
PTGER3 P43115 2/20 0.39
PTGER2 P43116 2/20 0.39
HTR7 P34969 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
TACR1 P25103 1/20 0.38
KCNA5 P22460 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37

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
SCHEMBL6206041 0.98 DPP4 (0.54) DPP4KMT2AFOLH1PDCD1CD274
SCHEMBL1515728 0.94 DPP4 (0.50) DPP4KMT2AFOLH1PDCD1CD274
Carbamic Acid SCHEMBL27885337 0.89 KMT2A (0.51) DPP4KMT2AFOLH1PDCD1CD274
SCHEMBL30423174 0.86 PTGER1 (0.42) DPP4KMT2AFOLH1PTGER1PTGER4
SCHEMBL1515759 0.85 PTGER4 (0.57) DPP4KMT2AFOLH1PDCD1CD274
SCHEMBL28106097 0.82 FOLH1 (0.42) DPP4KMT2AFOLH1PDCD1CD274
SCHEMBL1515790 0.82 FFAR1 (0.42) DPP4KMT2AFOLH1SLC6A2SLC6A4
SCHEMBL3905295 0.82 PTGS2 (0.43) DPP4KMT2ASLC6A4SLC6A3HTR7
SCHEMBL1497100 0.82 CYP2C19 (0.48) DPP4KMT2ASLC6A4SLC6A3HTR7
SCHEMBL2827860 0.81 GABRA1 (0.50) DPP4KMT2AFOLH1PDCD1CD274

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-106471061-B Polylactic acid composition, molded body obtained from polylactic acid composition, and method for producing polylactic acid composition 帝人株式会社 2021-06-08 CN disclosed