SCHEMBL28469031

SCHEMBL28469031

Cc1ccc2c(C)c(CCCC(=O)O)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.54
OXER1 Q8TDS5 1/20 0.43
GAA P10253 3/20 0.43
MAPT P10636 2/20 0.43
MITF O75030 1/20 0.43
TSHR P16473 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MPL P40238 1/20 0.41
KIF11 P52732 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 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
SCHEMBL28474292 0.89 EGFR (0.54) EGFROXER1GAAMAPTTSHR
SCHEMBL28472093 0.82 OXER1 (0.61) EGFROXER1GAAMAPTKMT2A
SCHEMBL28987815 0.80 MAPT (0.51) EGFRMAPTMITFTSHRKMT2A
SCHEMBL28468727 0.78 OXER1 (0.63) EGFROXER1GAAMAPTKMT2A
SCHEMBL28474157 0.78 RXFP1 (0.46) EGFROXER1GAAMAPTKMT2A
SCHEMBL28464941 0.78 SIRT1 (0.61) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL28466204 0.78 EGFR (0.45) EGFROXER1TSHRPPARG
SCHEMBL16240765 0.77 MEN1 (0.47) EGFRKMT2AMEN1
SCHEMBL10344755 0.74 HTR2A (0.60) EGFRMAPTKMT2AMEN1KDM4E
SCHEMBL18509428 0.74 EGFR (0.72) EGFRGAAMAPTMITFKMT2A

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-109369647-B Synthesis method of fused ring [1,2-a ] indole compound and 2, 3-disubstituted indole compound 武汉大学 2020-09-08 CN disclosed