SCHEMBL31486166

SCHEMBL31486166

CCOC(=O)c1c(C(=O)OCC)c(C(=O)OCC)c2c([nH]c3ccc(C(=O)OC)cc32)c1C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.57
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 6/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
RAB9A P51151 4/20 0.53
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HSD17B10 Q99714 5/20 0.52
HPGD P15428 4/20 0.52
NPC1 O15118 3/20 0.52
MAPK1 P28482 3/20 0.52
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
ATM Q13315 1/20 0.50
GAA P10253 2/20 0.47
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46

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
SCHEMBL31486001 0.85 ALDH1A1 (0.56) HCRTR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL31486241 0.84 ALDH1A1 (0.65) KDM4EALDH1A1MEN1KMT2ARAB9A
SCHEMBL31486141 0.82 CSF1R (0.57) HCRTR1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL31486111 0.82 GABRA1 (0.51) HCRTR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL31486014 0.82 GABRA1 (0.55) HCRTR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL31485924 0.82 GAA (0.49) HCRTR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL6669145 0.80 HCRTR1 (0.56) HCRTR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL31486156 0.80 ALOX5 (0.48) HCRTR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL31486190 0.79 KDM4E (0.53) HCRTR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL3197990 0.78 KDM4E (0.67) HCRTR1KDM4EALDH1A1MEN1KMT2A

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-119751335-A Indole derivative and preparation method and application thereof 山东省农业科学院 2025-04-04 CN disclosed