SCHEMBL10522294

SCHEMBL10522294

O=C(Oc1c2c(c(OC(=O)c3ccccc3)c3cc(Cl)ccc13)OCCO2)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.42
MAPT P10636 10/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 2/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 7/20 0.39
MEN1 O00255 4/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
GRM5 P41594 1/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL10522283 0.92 ABCB11 (0.42) ABCB11MAPTHTTSMN1; SMN2LMNA
SCHEMBL29372079 0.84 ABCB11 (0.49) ABCB11MAPTHTTSMN1; SMN2LMNA
SCHEMBL10525051 0.81 ABCB11 (0.64) ABCB11MAPTHTTSMN1; SMN2LMNA
SCHEMBL9643565 0.80 ABCB11 (0.67) ABCB11MAPTSMN1; SMN2LMNAGAA
SCHEMBL9643247 0.78 ABCB11 (0.47) ABCB11MAPTLMNAGAAPOLB
SCHEMBL10502679 0.77 ABCB11 (0.46) ABCB11MAPTHTTSMN1; SMN2LMNA
SCHEMBL10523119 0.77 ABCB11 (0.46) ABCB11SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL10524179 0.77 ABCB11 (0.37) ABCB11MAPTHTTSMN1; SMN2LMNA
SCHEMBL10503448 0.76 MAPT (0.43) ABCB11MAPTLMNAGAAPOLB
SCHEMBL10524720 0.76 ABCB11 (0.45) ABCB11HTTGAAPOLBKMT2A

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
US-4840965-A LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1989-06-20 US disclosed