SCHEMBL8554560

SCHEMBL8554560

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LY96 Q9Y6Y9 1/20 0.48
▸ MAPT P10636 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ PLAAT3 P53816 1/20 0.40
▸ PLAAT5 Q96KN8 1/20 0.40
▸ PLAAT2 Q9NWW9 1/20 0.40
▸ PLAAT4 Q9UL19 1/20 0.40
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1B1 Q16678 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
SCHEMBL8557510 0.85 LY96 (0.55) LY96MAPTALDH1A1MEN1KMT2A
SCHEMBL8550978 0.82 MAPT (0.46) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8150699 0.81 MAPT (0.43) LY96MAPTALDH1A1MEN1KMT2A
SCHEMBL8544757 0.80 PTGES (0.41) MAPTALDH1A1MEN1KMT2AMTNR1A
SCHEMBL8550020 0.80 GAA (0.48) MAPTALDH1A1SMN1; SMN2PLAAT3PLAAT5
SCHEMBL8152729 0.79 POLB (0.43) LY96MAPTALDH1A1MEN1KMT2A
SCHEMBL8552120 0.77 RAB9A (0.35) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL8548079 0.74 CA1 (0.41) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8548995 0.74 ALOX5 (0.42) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL8552707 0.73 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP2C9NPC1RAB9A

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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