SCHEMBL27840902

SCHEMBL27840902

Cc1cc(-c2ccccc2)c(C(=O)O)c(-c2ccco2)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.46
L3MBTL1 Q9Y468 6/20 0.43
POLB P06746 6/20 0.43
TDP1 Q9NUW8 4/20 0.43
CTDSP1 Q9GZU7 2/20 0.43
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
SMARCA2 P51531 1/20 0.40
PBRM1 Q86U86 1/20 0.40
ALDH1A1 P00352 6/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
PKM P14618 4/20 0.39
HSD17B10 Q99714 3/20 0.39
USP2 O75604 2/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAT2A P31153 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
SCHEMBL28945494 0.90 TP53 (0.43) KEAP1L3MBTL1POLBTDP1CTDSP1
SCHEMBL28795749 0.84 KMT2A (0.40) KEAP1L3MBTL1POLBTDP1CTDSP1
SCHEMBL28774879 0.78 METAP2 (0.39) KEAP1L3MBTL1POLBTDP1CTDSP1
SCHEMBL28355967 0.74 ESR2 (0.43) PTGS1MEN1KMT2ATSHRHTT
Hydrochloric Acid SCHEMBL28562155 0.72 ESR2 (0.42) PTGS1MEN1KMT2ATSHRPTPN1
SCHEMBL27732259 0.72 PTGER2 (0.40) POLBTDP1ALDH1A1MEN1KMT2A
SCHEMBL5052040 0.71 L3MBTL1 (0.47) KEAP1L3MBTL1POLBTDP1CTDSP1
SCHEMBL11139556 0.71 ESR2 (0.43) PTGS1MEN1KMT2ATSHRHTT
SCHEMBL17459516 0.71 PTPN1 (0.51) PTGS1ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL9153943 0.71 ESR2 (0.43) PTGS1MEN1KMT2ATSHRHTT

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-101547919-B Dihydropyrimidine compounds and application thereof in preparing medicaments for treating and preventing viral diseases BEIJING MOLIK SCIENCE AND TECHNOLOGY CO LTD 2011-11-16 CN claimed
CN-101547919-B Dihydropyrimidine compounds and application thereof in preparing medicaments for treating and preventing viral diseases BEIJING MOLIK SCIENCE AND TECHNOLOGY CO LTD 2011-11-16 CN disclosed