SCHEMBL27776290

SCHEMBL27776290

O=C(OC1CC[CH]CC1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 4/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ HSD11B1 P28845 1/20 0.46
▸ EPHX2 P34913 8/20 0.44
▸ FAAH O00519 4/20 0.44
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MGLL Q99685 1/20 0.42
▸ SCN1A P35498 1/20 0.42
▸ SCN2A Q99250 1/20 0.42
▸ SCN3A Q9NY46 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.41
▸ EPHX1 P07099 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 0.91 STS (0.56) STSSMN1; SMN2NPC1HTTRAB9A
SCHEMBL8083202 0.84 STS (0.56) STSSMN1; SMN2NPC1HTTRAB9A
SCHEMBL15939439 0.83 STS (0.49) STSSMN1; SMN2NPC1HTTRAB9A
SCHEMBL23518946 0.78 STS (0.56) STSSMN1; SMN2NPC1HTTRAB9A
SCHEMBL1267583 0.77 MEN1 (0.61) EPHX2LMNAMAPTSCN1ASCN2A
SCHEMBL28097193 0.75 EPHX2 (0.44) STSSMN1; SMN2NPC1HTTRAB9A
SCHEMBL15485626 0.75 HSD11B1 (0.52) STSNPC1RAB9AHSD11B1EPHX2
SCHEMBL8454904 0.75 HSD11B1 (0.41) STSSMN1; SMN2NPC1HTTRAB9A
SCHEMBL8454915 0.75 HSD11B1 (0.41) STSSMN1; SMN2NPC1HTTRAB9A
SCHEMBL8454902 0.75 HSD11B1 (0.41) STSSMN1; SMN2NPC1HTTRAB9A

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
CN-101520575-B Vertical orientation type liquid crystal orientating agent and vertical orientation type liquid crystal display element JSR CORP 2012-05-30 — — CN disclosed
CN-101520575-A Vertical orientation type liquid crystal orientating agent and vertical orientation type liquid crystal display element JSR CORP 2009-09-02 — — CN disclosed
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