SCHEMBL8550868

SCHEMBL8550868

C=C(C)C(=O)NCC/C(=C\c1cccc(F)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PTGS1 P23219 2/20 0.39
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ NLRP3 Q96P20 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ FBP1 P09467 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MDM2 Q00987 1/20 0.36

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
SCHEMBL8550579 0.88 NPC1 (0.35) NPC1RAB9AALDH1A1SMN1; SMN2RECQL
SCHEMBL8552707 0.86 ALDH1A1 (0.52) AKR1C3NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8555352 0.86 NLRP3 (0.46) AKR1C3NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8550399 0.85 ALDH1A1 (0.41) AKR1C3AKR1C2NPC1RAB9AALDH1A1
SCHEMBL8554588 0.84 TRPA1 (0.38) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL8551790 0.83 MAPT (0.39) AKR1C3AKR1C2PTGS1MAPTKMT2A
SCHEMBL8547870 0.83 PDCD1 (0.43) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL8554180 0.82 GLO1 (0.51) ALDH1A1SMN1; SMN2MAPTKMT2AFBP1
SCHEMBL8552779 0.81 DPEP1 (0.41) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL8550321 0.81 DPEP1 (0.41) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A

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
EP-0611786-B1 Orientation layer for liquid crystals ROLIC AG (CH) 1999-04-14 — — EP disclosed
EP-0611786-A1 Orientation layer for liquid crystals F. HOFFMANN-LA ROCHE AG (CH) 1994-08-24 — — EP disclosed
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