SCHEMBL2417239

SCHEMBL2417239

Nc1ccc(Oc2ccc(C(=O)O)nc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 5/20 0.51
PARP10 Q53GL7 2/20 0.49
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
P4HA1 P13674 1/20 0.47
MIF P14174 1/20 0.47
MAOA P21397 2/20 0.47
KDM4E B2RXH2 3/20 0.46
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
APAF1 O14727 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GLA P06280 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
Hydrochloric Acid SCHEMBL11410315 0.98 P4HTM (0.50) P4HTMPARP10ALDH1A1TDP1CYP3A4
SCHEMBL5755276 0.86 P4HTM (0.63) P4HTMPARP10ALDH1A1P4HA1MIF
SCHEMBL3589291 0.83 MAOB (0.53) P4HTMALDH1A1P4HA1MIFKMT2A
SCHEMBL11420514 0.83 P4HTM (0.51) P4HTMALDH1A1TDP1CYP3A4TSHR
SCHEMBL753336 0.83 P4HTM (0.53) P4HTMALDH1A1P4HA1MIFKDM4E
SCHEMBL10933975 0.83 CDH1 (0.54) P4HTMALDH1A1TDP1P4HA1MIF
SCHEMBL11411697 0.83 P4HTM (0.58) P4HTMPARP10ALDH1A1P4HA1MIF
SCHEMBL11410519 0.83 KDM4E (0.65) P4HTMALDH1A1P4HA1MIFKDM4E
SCHEMBL10163267 0.82 MAPK1 (0.54) PARP10ALDH1A1TDP1CYP3A4TSHR
SCHEMBL26116667 0.81 KDM4E (0.46) P4HTMPARP10ALDH1A1TDP1CYP3A4

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-2365752-A1 CYCLOPROPANE AMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES Deciphera Pharmaceuticals, Llc (US) 2011-09-21 EP disclosed
WO-2010051373-A1 CYCLOPROPANE AMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS, LLC (US) 2010-05-06 WO disclosed