SCHEMBL7245208

SCHEMBL7245208

COC(=O)CC1=C(C(=O)O)C(c2c(Cl)cccc2Cl)C(C(=O)O)=C(CCc2ccccc2COCCN2CCOCC2)N1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 3/20 0.36
HRH3 Q9Y5N1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
EPHX2 P34913 1/20 0.34
P2RX7 Q99572 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL6153190 0.94 SMN1; SMN2 (0.37) POLBSMN1; SMN2ALDH1A1HRH3MEN1
SCHEMBL6153062 0.93 HPGD (0.34) ALDH1A1HRH3L3MBTL1KDM4EMEN1
SCHEMBL6152882 0.89 POLB (0.39) POLBSMN1; SMN2ALDH1A1HRH3L3MBTL1
SCHEMBL6152510 0.83 POLB (0.33) POLBSMN1; SMN2HRH3L3MBTL1KDM4E
SCHEMBL6152414 0.82 PTAFR (0.37) HRH3L3MBTL1KDM4EMEN1KMT2A
SCHEMBL6152961 0.81 HTR1A (0.30)
SCHEMBL6153461 0.80 CYP4F2 (0.34) POLBSMN1; SMN2ALDH1A1KDM4ETP53
SCHEMBL6152973 0.80 PTAFR (0.32) POLBSMN1; SMN2HRH3MEN1KMT2A
SCHEMBL6153189 0.79 CYP2C9 (0.32) POLBSMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL7245220 0.79 TBXA2R (0.47) SMN1; SMN2ALDH1A1KDM4ETP53TSHR

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-6653313-B2 For treatment and prevention of inflammation, asthma, allergic rhinitis, pain and other disorders WARNER-LAMBERT COMPANY LLC 2003-11-25 US disclosed