SCHEMBL28985335

SCHEMBL28985335

COc1cc(CCC(=O)OC(C)C)cc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 2/20 0.44
AKR1B1 P15121 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
TSHR P16473 1/20 0.41
CYP19A1 P11511 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
F2RL1 P55085 1/20 0.40
GAA P10253 1/20 0.40
CYP24A1 Q07973 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL7525162 0.83 ALDH1A1 (0.64) LMNAALDH1A1TDP1L3MBTL1NFKB1
SCHEMBL5884605 0.82 KMT2A (0.51) LMNAALDH1A1KMT2AAKR1B1NFKB1
SCHEMBL7226304 0.80 TSHR (0.41) LMNAALDH1A1TDP1L3MBTL1TSHR
SCHEMBL21706910 0.78 AKR1B1 (0.42) LMNAALDH1A1TDP1L3MBTL1KMT2A
SCHEMBL7328673 0.78 F2RL1 (0.56) LMNAALDH1A1KMT2AAKR1B1NFKB1
SCHEMBL63490 0.78 CYP4F2 (0.56) LMNAALDH1A1TDP1L3MBTL1KMT2A
SCHEMBL28012705 0.77 AKR1B1 (0.49) LMNAALDH1A1KMT2AAKR1B1NFKB1
SCHEMBL490401 0.77 FFAR1 (0.56) LMNAL3MBTL1AKR1B1NFKB1NFKB2
SCHEMBL16054397 0.77 KDM4E (0.62) LMNAALDH1A1KMT2AAKR1B1NFKB1
SCHEMBL9231052 0.77 PTGS1 (0.41) LMNAALDH1A1TDP1L3MBTL1NFKB1

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-115819239-A Intermediate of fibroblast growth factor receptor inhibitor and preparation method and application thereof 无锡和誉生物医药科技有限公司 2023-03-21 CN disclosed
CN-115819239-A Intermediate of fibroblast growth factor receptor inhibitor and preparation method and application thereof 无锡和誉生物医药科技有限公司 2023-03-21 CN disclosed