SCHEMBL28097193

SCHEMBL28097193

O=C(OC1[CH]CCCC1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 5/20 0.44
▸ EPHX1 P07099 1/20 0.44
▸ STS P08842 4/20 0.44
▸ NPC1 O15118 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ KDM2B Q8NHM5 1/20 0.40
▸ MGLL Q99685 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ FAAH O00519 1/20 0.39
▸ TRPV1 Q8NER1 2/20 0.39
▸ GCGR P47871 1/20 0.38

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 0.81 STS (0.56) EPHX2EPHX1STSNPC1HTT
SCHEMBL27702346 0.80 HSD11B1 (0.48) EPHX2EPHX1HSD11B1KDM2BMGLL
SCHEMBL8083202 0.78 STS (0.56) EPHX2EPHX1STSNPC1HTT
SCHEMBL27776290 0.75 STS (0.50) EPHX2EPHX1STSNPC1HTT
SCHEMBL26622227 0.73 EPHX2 (0.55) EPHX2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL23518946 0.72 STS (0.56) EPHX2EPHX1STSNPC1HTT
SCHEMBL27957268 0.72 HSD11B1 (0.61) EPHX2EPHX1NPC1RAB9AHSD11B1
SCHEMBL15939439 0.71 STS (0.49) EPHX2STSNPC1HTTRAB9A
SCHEMBL27973593 0.70 EPHX2 (0.52) EPHX2NPC1RAB9ASMN1; SMN2HSD11B1
SCHEMBL6140623 0.69 HSD11B1 (0.66) EPHX2EPHX1NPC1RAB9AHSD11B1

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
CN-103525435-B Crystal aligning agent, the manufacture method of liquid crystal display cells, liquid crystal orienting film, liquid crystal display cells and polymer JSR株式会社 2016-09-14 — — CN disclosed
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