SCHEMBL9874969

SCHEMBL9874969

Nc1cc(OCCOCCOC(F)F)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 8/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
APP P05067 3/20 0.37
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL17802398 0.77 TSHR (0.49) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9874109 0.77 NCF1 (0.33) NCF1
SCHEMBL9226702 0.76 SYK (0.43) MAPTALDH1A1CASP1CASP7HSD17B10
SCHEMBL24429662 0.74 MAPT (0.55) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3122461 0.74 MAPT (0.37) MAPTTSHRALDH1A1CASP1CASP7
SCHEMBL7459538 0.74 MAPT (0.37) NCF1MAPTALDH1A1CASP1CASP7
SCHEMBL9873744 0.74 MAOA (0.33) NCF1MAPK1NPC1MAPTSMN1; SMN2
SCHEMBL26086299 0.73 ALDH1A1 (0.53) MAPK1TDP1APPMAPTTSHR
SCHEMBL10439632 0.72 RAB9A (0.42) KDM4EMAPK1TDP1NPC1MAPT
SCHEMBL26352035 0.71 MAOB (0.43) KDM4EAPPMAPTALDH1A1CASP1

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-5024694-A Pre and postemergence herbicides BAYER AKTIENGESELLSCHAFT (DE) 1991-06-18 US disclosed