SCHEMBL24436862

SCHEMBL24436862

CC(=O)Oc1ccc(OC(F)(F)F)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
KDM4E B2RXH2 3/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 3/20 0.41
MAPK1 P28482 1/20 0.41
ACHE P22303 1/20 0.41
AURKA O14965 1/20 0.39
TPX2 Q9ULW0 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
PKM P14618 2/20 0.39
APP P05067 2/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 2/20 0.39
CA12 O43570 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL24436869 0.87 AURKA (0.42) CYP3A4KDM4ELMNAAURKATPX2
SCHEMBL21921357 0.83 CYP3A4 (0.58) CYP3A4KDM4ELMNAMAPTMAPK1
SCHEMBL3496650 0.83 KDM4E (0.44) CYP3A4KDM4ELMNAMAPTMAPK1
SCHEMBL28229198 0.81 KDM4E (0.49) CYP3A4KDM4ELMNAMAPTMAPK1
SCHEMBL24436823 0.80 CYP3A4 (0.51) CYP3A4KDM4ELMNAMAPTMAPK1
SCHEMBL24436846 0.80 ALDH1A1 (0.46) CYP3A4KDM4EMAPTMAPK1NPC1
SCHEMBL1097259 0.80 CYP3A4 (0.55) CYP3A4KDM4ELMNAMAPTMAPK1
SCHEMBL24436867 0.79 KDM4E (0.45) CYP3A4KDM4ERAB9ACA12GAA
SCHEMBL24436864 0.79 KDM4E (0.45) CYP3A4KDM4ERAB9AGAATDP1
SCHEMBL27051454 0.78 KDM4E (0.71) KDM4ELMNAMAPTMAPK1CYP1A1

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-4001336-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE Shin-Etsu Chemical Co., Ltd. (JP) 2022-05-25 EP disclosed
US-20220157484-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-05-19 US disclosed