SCHEMBL28566293

SCHEMBL28566293

CC(=O)OC(OC(C)=O)c1cc(Cl)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TP53 P04637 3/20 0.40
RAB9A P51151 1/20 0.40
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
FSCN1 Q16658 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
ABCB11 O95342 1/20 0.38
EPHX1 P07099 1/20 0.37
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CASP1 P29466 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL31195452 0.76 LMNA (0.38) ALDH1A1TP53USP2HPGDFSCN1
SCHEMBL11289703 0.74 MAPK1 (0.44) ALDH1A1RAB9AHPGDTSHRCYP3A4
SCHEMBL27949330 0.74 LMNA (0.50) TP53USP2HPGDFSCN1TSHR
SCHEMBL27918555 0.73 BRD4 (0.52) ALDH1A1TSHRCYP3A4MEN1KMT2A
SCHEMBL5746659 0.72 GAA (0.43) ALDH1A1TP53RAB9AFSCN1EPHX1
SCHEMBL2217027 0.72 MEN1 (0.32) ALDH1A1MEN1KMT2A
SCHEMBL13991708 0.71 ALDH1A1 (0.45) ALDH1A1HPGDCYP3A4TDP1MEN1
SCHEMBL3664255 0.71 LMNA (0.43) TP53USP2HPGDFSCN1TSHR
SCHEMBL27487322 0.71 ABL1 (0.41) ALDH1A1TP53RAB9AHPGDABCB11
SCHEMBL11582161 0.71 LMNA (0.43) ALDH1A1TP53USP2HPGDFSCN1

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-110526886-B Method for synthesizing 1-oxo-1, 3-dihydro-3-hydroxybenzofuran-5-formic acid 忻州师范学院 2021-04-30 CN disclosed