SCHEMBL8083202

SCHEMBL8083202

O=C(Oc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 4/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ HTT P42858 2/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ LMNA P02545 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ EPHX2 P34913 2/20 0.47
▸ EPHX1 P07099 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.43
▸ HSD11B1 P28845 1/20 0.43
▸ GCGR P47871 1/20 0.43
▸ GIPR P48546 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ FAAH O00519 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
SCHEMBL28268508 0.90 STS (0.56) STSSMN1; SMN2HTTNPC1RAB9A
SCHEMBL19382901 0.90 STS (0.66) STSSMN1; SMN2HTTNPC1RAB9A
SCHEMBL19382903 0.88 STS (0.65) STSSMN1; SMN2HTTNPC1RAB9A
SCHEMBL27776290 0.84 STS (0.50) STSSMN1; SMN2HTTNPC1RAB9A
SCHEMBL23518946 0.83 STS (0.56) STSSMN1; SMN2HTTNPC1RAB9A
SCHEMBL18430545 0.82 STS (0.57) STSSMN1; SMN2HTTNPC1RAB9A
Methyl Alcohol SCHEMBL17065506 0.80 STS (0.55) STSSMN1; SMN2HTTNPC1RAB9A
SCHEMBL110657 0.80 SMN1; SMN2 (0.68) STSSMN1; SMN2HTTNPC1RAB9A
SCHEMBL15939439 0.80 STS (0.49) STSSMN1; SMN2HTTNPC1RAB9A
SCHEMBL18434834 0.78 ELANE (0.62) STSSMN1; SMN2HTTNPC1RAB9A

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
JP-2000264862-A PHENYL ESTER COMPOUND AND FERRIELECTRIC LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME MITSUBISHI GAS CHEM CO INC 2000-09-26 — — JP disclosed
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