SCHEMBL6945787

SCHEMBL6945787

O=C(OO)c1ccccc1.O=C(OOC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.58
NPC1 O15118 9/20 0.58
MAPT P10636 6/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
HPGD P15428 5/20 0.58
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
F2 P00734 1/20 0.47
LMNA P02545 1/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
PKM P14618 3/20 0.46
SRD5A2 P31213 1/20 0.45
ALDH1A1 P00352 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45

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
Benzoyl Peroxide SCHEMBL1326365 0.92 RAB9A (0.62) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL2152936 0.92 RAB9A (0.62) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL31347990 0.92 RAB9A (0.62) RAB9ANPC1MAPTSMN1; SMN2HPGD
Benzoyl Chloride SCHEMBL4535590 0.86 RAB9A (0.59) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL15385 0.83 SMN1; SMN2 (0.63) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL3077888 0.83 RAB9A (0.62) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL1396691 0.82 RAB9A (0.54) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL4369443 0.82 RAB9A (0.60) RAB9ANPC1MAPTSMN1; SMN2HPGD
Bicarbonate SCHEMBL28553156 0.82 SMN1; SMN2 (0.62) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL28999769 0.82 TSHR (0.63) RAB9ANPC1MAPTSMN1; SMN2HPGD

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
EP-1287981-A2 Hose Tokai Rubber Industries, Ltd. (JP) 2003-03-05 EP disclosed