SCHEMBL581501

SCHEMBL581501

COc1ccc(NCc2c(F)c(F)c(F)c(F)c2F)cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.48
HIF1A Q16665 2/20 0.44
GAA P10253 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
PPARA Q07869 3/20 0.42
POLB P06746 1/20 0.42
STING1 Q86WV6 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
FABP4 P15090 1/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
FFAR1 O14842 1/20 0.40

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
SCHEMBL580279 0.90 EGFR (0.43) EGFRHIF1AGAAKDM4EHSD17B10
SCHEMBL499950 0.80 PPARA (0.63) EGFRKDM4EALDH1A1TDP1PPARA
SCHEMBL30473063 0.80 PPARA (0.63) EGFRKDM4EALDH1A1TDP1PPARA
SCHEMBL3951791 0.78 CFD (0.45) EGFRGAAKDM4EHSD17B10SMN1; SMN2
SCHEMBL580201 0.78 EPHX2 (0.40) EGFRGAAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3950219 0.77 ALDH1A1 (0.38) EGFRGAAKDM4EHSD17B10SMN1; SMN2
SCHEMBL4299252 0.77 KDM4C (0.37) EGFRGAAKDM4EHSD17B10SMN1; SMN2
SCHEMBL586740 0.76 DTYMK (0.48) EGFRGAASMN1; SMN2ALDH1A1TDP1
SCHEMBL580967 0.76 PPARA (0.57) EGFRKDM4EHSD17B10ALDH1A1TDP1
SCHEMBL12800015 0.75 POLB (0.51) KDM4EHSD17B10SMN1; SMN2ALDH1A1TDP1

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
EP-2417972-A2 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING BURN INJURIES Neurotech Pharmaceuticals Co., Ltd. (KR) 2012-02-15 EP claimed