SCHEMBL1768328

SCHEMBL1768328

O=C(CCc1ccc(-c2ccccc2)c(Cl)c1Cl)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
PTGER4 P35408 3/20 0.42
PTGER3 P43115 3/20 0.42
PTGER1 P34995 2/20 0.42
PTGER2 P43116 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41
NPY1R P25929 1/20 0.41

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
SCHEMBL304176 0.75 TDP1 (0.78) KMT2AALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL3708328 0.74 TDP1 (0.66) MEN1KMT2AALDH1A1MAPK1L3MBTL1
Ammonia Solution, Strong SCHEMBL28588274 0.73 TDP1 (0.75) KMT2AALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL28207503 0.73 TDP1 (0.75) KMT2AALDH1A1MAPK1L3MBTL1TDP1
Bicarbonate SCHEMBL7699565 0.73 TDP1 (0.75) KMT2AALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL28450115 0.73 TDP1 (0.64) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL28662041 0.73 TDP1 (0.54) KMT2AALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL1177836 0.73 ALDH1A1 (0.73) MEN1KMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL8553345 0.72 ALDH1A1 (0.50) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL16366524 0.72 ALDH1A1 (0.46) MEN1KMT2AKDM4ECYP1A2CYP3A4

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-2011061271-A1 SUBSTITUTED CARBAMOYLMETHYLAMINO ACETIC ACID DERIVATIVES AS NOVEL NEP INHIBITORS NOVARTIS AG (CH) 2011-05-26 WO disclosed