SCHEMBL6828133

SCHEMBL6828133

C=Cc1cc(OC)cc(C(=O)O)c1Br

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
CDC25B P30305 1/20 0.38
AKR1C3 P42330 5/20 0.38
AKR1C2 P52895 5/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
GFER P55789 1/20 0.36
RXRA P19793 1/20 0.36
ESR2 Q92731 1/20 0.35

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
SCHEMBL15989607 0.82 LCK (0.52) LCKFYNKDM4EPOLBSMN1; SMN2
SCHEMBL4634919 0.77 AKR1C3 (0.50) KDM4EPOLBSMN1; SMN2HPGDALDH1A1
SCHEMBL12837795 0.77 SMN1; SMN2 (0.54) KDM4EPOLBSMN1; SMN2HPGDALDH1A1
SCHEMBL6829006 0.76 ERN1 (0.44) KDM4EALDH1A1LMNAMAPTESR2
SCHEMBL15517008 0.76 LCK (0.55) LCKFYNKDM4EPOLBSMN1; SMN2
SCHEMBL1809647 0.76 LCK (0.46) LCKFYNKDM4EPOLBSMN1; SMN2
SCHEMBL31457973 0.75 LCK (0.44) LCKFYNKDM4EPOLBSMN1; SMN2
SCHEMBL17694370 0.73 LCK (0.44) LCKFYNKDM4EPOLBSMN1; SMN2
SCHEMBL9082613 0.73 ALDH1A1 (0.51) LCKFYNKDM4EHPGDALDH1A1
SCHEMBL28928501 0.70 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1ESR2

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-2004073612-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO. INC. (US) 2004-09-02 WO disclosed