SCHEMBL10532765

SCHEMBL10532765

CCCCCCCCCCSc1ncc(-c2ccc(C(=O)O[C@@H](C)C(=O)OCC)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PDGFRB P09619 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ RARB P10826 4/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RGS12 O14924 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL10533469 1.00 MAPT (0.46) MAPTALDH1A1LMNATDP1NPC1
SCHEMBL10534089 1.00 MAPT (0.46) MAPTALDH1A1LMNATDP1NPC1
SCHEMBL10534800 1.00 MAPT (0.46) MAPTALDH1A1LMNATDP1NPC1
SCHEMBL10536353 1.00 MAPT (0.46) MAPTALDH1A1LMNATDP1NPC1
SCHEMBL10533486 1.00 MAPT (0.46) MAPTALDH1A1LMNATDP1NPC1
SCHEMBL10532847 1.00 MAPT (0.46) MAPTALDH1A1LMNATDP1NPC1
SCHEMBL10534158 0.99 MAPT (0.47) MAPTALDH1A1LMNATDP1NPC1
SCHEMBL10532760 0.88 CCNE1 (0.39) MAPTALDH1A1LMNATDP1NPC1
SCHEMBL10536419 0.88 CCNE1 (0.39) MAPTALDH1A1LMNATDP1NPC1
SCHEMBL10536324 0.88 CCNE1 (0.39) MAPTALDH1A1LMNATDP1NPC1

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
WO-1989003416-A1 FERROELECTRIC LIQUID CRYSTALLINE PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-04-20 — — WO disclosed
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