SCHEMBL31414565

SCHEMBL31414565

Cc1ccc(C(=O)OCc2ccccc2)c(N)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.53
MAPK1 P28482 2/20 0.53
ALDH1A1 P00352 6/20 0.53
TDP1 Q9NUW8 5/20 0.51
RAB9A P51151 5/20 0.51
L3MBTL1 Q9Y468 5/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
EGLN1 Q9GZT9 1/20 0.49
CYP3A4 P08684 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48

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
SCHEMBL20440373 0.90 MMP2 (0.46) TSHRMAPK1ALDH1A1TDP1RAB9A
SCHEMBL29351666 0.90 MMP2 (0.46) TSHRMAPK1ALDH1A1TDP1RAB9A
SCHEMBL20201203 0.85 ALDH1A1 (0.55) TSHRMAPK1ALDH1A1TDP1RAB9A
SCHEMBL11180252 0.83 ALDH1A1 (0.53) TSHRMAPK1ALDH1A1TDP1RAB9A
SCHEMBL401600 0.83 POLB (0.62) TSHRMAPK1ALDH1A1TDP1RAB9A
SCHEMBL28099354 0.83 ALDH1A1 (0.45) TSHRMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL510572 0.82 ALDH1A1 (0.54) TSHRALDH1A1RAB9AL3MBTL1CYP3A4
SCHEMBL6647268 0.81 RAB9A (0.53) TSHRMAPK1ALDH1A1TDP1RAB9A
SCHEMBL31538465 0.79 TSHR (0.41) TSHRMAPK1ALDH1A1TDP1RAB9A
SCHEMBL6645903 0.79 TSHR (0.52) TSHRMAPK1ALDH1A1TDP1RAB9A

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-119841817-B Aromatic ester compound containing benzo five-membered ring, and preparation method and application thereof 山东省联合农药工业有限公司 2026-05-12 CN disclosed
CN-119841817-A Aromatic ester compound containing benzo five-membered ring, and preparation method and application thereof 山东省联合农药工业有限公司 2025-04-18 CN disclosed