SCHEMBL8557510

SCHEMBL8557510

C=CC(=O)NCC/C(=C\c1ccc(OC)cc1OC)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LY96 Q9Y6Y9 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ MTNR1A P48039 2/20 0.43
▸ MTNR1B P49286 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.40
▸ TNFRSF1A P19438 1/20 0.40
▸ EGFR P00533 1/20 0.40

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
SCHEMBL8554560 0.85 LY96 (0.48) LY96ALDH1A1MAPTMTNR1AMTNR1B
SCHEMBL8546509 0.82 TGM2 (0.47) ALDH1A1MAPTMTNR1AMTNR1BMEN1
SCHEMBL8550135 0.79 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL8150699 0.75 MAPT (0.43) LY96ALDH1A1MAPTMEN1KMT2A
SCHEMBL8152729 0.73 POLB (0.43) LY96ALDH1A1MAPTMEN1KMT2A
SCHEMBL8555564 0.73 NFE2L2 (0.45) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL8554406 0.73 ACACB (0.43) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL5378571 0.72 MAPT (0.59) LY96ALDH1A1MAPTMEN1KMT2A
SCHEMBL20456245 0.71 APLNR (0.58) ALDH1A1MAPTGAA
SCHEMBL9408929 0.71 ZDHHC20 (0.43) MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2

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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