SCHEMBL22072149

SCHEMBL22072149

CC(=O)On1c(=O)c(C(=O)O)nc2cc(C)c(C)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ USP2 O75604 2/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ THRB P10828 1/20 0.34
▸ TSHR P16473 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ STAT1 P42224 1/20 0.33
▸ CASP1 P29466 1/20 0.33

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
SCHEMBL22072182 0.80 SMN1; SMN2 (0.39) HPGDKDM4EALDH1A1GLASMN1; SMN2
SCHEMBL22072146 0.78 ALDH1A1 (0.46) HPGDKDM4EALDH1A1GLASMN1; SMN2
SCHEMBL22072095 0.78 POLB (0.40) HPGDKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL9704918 0.75 MAPK1 (0.50) HPGDKDM4EALDH1A1GLASMN1; SMN2
SCHEMBL22072305 0.72 BRD4 (0.36) KDM4EMAPTMEN1KMT2AUSP2
SCHEMBL22071690 0.70 ESR1 (0.46) HPGDKDM4EALDH1A1GLASMN1; SMN2
SCHEMBL22071675 0.68 MEN1 (0.47) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL22071668 0.68 MEN1 (0.47) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL22071736 0.66 KMT2A (0.41) HPGDKDM4EALDH1A1GLASMN1; SMN2
SCHEMBL22071679 0.66 MEN1 (0.59) HPGDKDM4EALDH1A1GLASMN1; SMN2

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
WO-2020117974-A1 COMPOUNDS AND COMPOSITIONS FOR EYE TREATMENTS AVEDRO, INC. (US) 2020-06-11 — — WO disclosed
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