SCHEMBL11220519

SCHEMBL11220519

CCC1CCC(C2CCC(C(=O)Oc3c(F)c(F)cc(F)c3F)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
NPC1 O15118 1/20 0.33
CA2 P00918 1/20 0.32
CASP3 P42574 1/20 0.32
CTSV O60911 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSH P09668 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
CTSF Q9UBX1 1/20 0.32
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
F2 P00734 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL11220517 1.00 MAPK1 (0.34) MAPK1ALDH1A1HTTTDP1NPC1
SCHEMBL11237508 0.88 F2 (0.32) HTTTDP1CA2POLBSMN1; SMN2
SCHEMBL14274428 0.88 HTT (0.37) ALDH1A1HTTTDP1NPC1CA2
SCHEMBL11032040 0.85 SMN1; SMN2 (0.41) ALDH1A1HTTTDP1NPC1POLB
SCHEMBL11032038 0.85 SMN1; SMN2 (0.41) ALDH1A1HTTTDP1NPC1POLB
SCHEMBL8025327 0.83 KMT2A (0.40) ALDH1A1HTTTDP1NPC1CA2
SCHEMBL19844737 0.81 HTT (0.37) ALDH1A1HTTTDP1CA2POLB
SCHEMBL8774603 0.81 L3MBTL1 (0.35) ALDH1A1HTTNPC1CA2POLB
SCHEMBL8774597 0.81 L3MBTL1 (0.35) ALDH1A1HTTNPC1CA2POLB
SCHEMBL8774609 0.81 L3MBTL1 (0.35) ALDH1A1HTTNPC1CA2POLB

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
JP-57179134-A None JP disclosed
JP-S57179134-A CARBOXYLIC ESTER OF TETRAFLUOROPHENOL CHISSO CORP 1982-11-04 JP disclosed