SCHEMBL30006358

SCHEMBL30006358

O=C(c1cc(OC(=O)N2CCOCC2)c(OC(=O)N2CCOCC2)cc1Cl)c1cc(Cl)ccc1OC(=O)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
HSD17B10 Q99714 2/20 0.53
KDM4E B2RXH2 2/20 0.52
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TP53 P04637 2/20 0.50
MEN1 O00255 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
TSHR P16473 3/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 1/20 0.44
LIPE Q05469 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAOB P27338 1/20 0.43
AKR1C3 P42330 1/20 0.43

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
SCHEMBL20980044 1.00 ALDH1A1 (0.56) ALDH1A1HSD17B10KDM4EGAANPSR1
SCHEMBL28834161 0.86 TSHR (0.52) ALDH1A1GAANPSR1TP53MEN1
SCHEMBL28098688 0.83 HRH3 (0.42) ALDH1A1NPSR1TP53MAPTTSHR
SCHEMBL28098761 0.81 ALDH1A1 (0.43) ALDH1A1TP53MEN1MAPTKMT2A
SCHEMBL30514597 0.81 KDM4E (0.48) ALDH1A1KDM4EMEN1CYP3A4MAPT
SCHEMBL13342919 0.77 RAB9A (0.62) ALDH1A1HSD17B10KDM4EGAANPSR1
SCHEMBL22372574 0.77 HSD17B10 (0.59) ALDH1A1HSD17B10KDM4EGAANPSR1
SCHEMBL6101008 0.77 POLB (0.54) ALDH1A1HSD17B10KDM4EGAANPSR1
SCHEMBL19627242 0.75 ALDH1A1 (0.50) ALDH1A1HSD17B10GAANPSR1MEN1
SCHEMBL13342935 0.75 POLB (0.60) ALDH1A1HSD17B10KDM4EGAANPSR1

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-115212192-A Application of benzophenone derivative in preparation of anti-renal fibrosis medicine 山西医科大学 2022-10-21 CN disclosed