SCHEMBL6137485

SCHEMBL6137485

COc1ccccc1[C@H]1C(Cl)=CC=CC1(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
HTR2C P28335 3/20 0.35
HSD11B1 P28845 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2B P41595 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL6137738 0.85 HSD11B1 (0.34) MEN1KMT2AHTR2CHSD11B1KDM4E
SCHEMBL16719320 0.85 HSD11B1 (0.34) MEN1KMT2AHTR2CHSD11B1KDM4E
SCHEMBL5572903 0.68 MEN1 (0.32) MEN1KMT2AHTR2CL3MBTL1
SCHEMBL8994728 0.66 GAA (0.34) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL28980582 0.60 HTR2C (0.47) MEN1KMT2AHTR2CHSD11B1KDM4E
SCHEMBL10571023 0.60 CA1 (0.48) MEN1KMT2AHTR2CHSD11B1KDM4E
SCHEMBL27560576 0.60 HTR2C (0.59) MEN1KMT2AHTR2CHTR2AHTR2B
SCHEMBL1515163 0.59 HTR2C (0.75) MEN1KMT2AHTR2CATM
SCHEMBL28829941 0.58 HTR2C (0.49) MEN1KMT2AHTR2CHSD11B1KDM4E
SCHEMBL28038759 0.58 HTR2C (0.57) MEN1KMT2AHTR2CHTR2AHTR2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1199301-B1 Olefination process to itaconate and succinate derivatives PFIZER LTD (GB) 2005-06-08 EP disclosed
EP-1199301-A1 Olefination process to itaconate and succinate derivatives Pfizer Limited (GB) 2002-04-24 EP disclosed