SCHEMBL10534158

SCHEMBL10534158

CCCCCSc1ncc(-c2ccc(C(=O)O[C@@H](C)C(=O)OCC)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ PDGFRB P09619 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RGS12 O14924 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ PDCD1 Q15116 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
SCHEMBL10532847 0.99 MAPT (0.46) MAPTLMNAALDH1A1TDP1NPC1
SCHEMBL10536353 0.99 MAPT (0.46) MAPTLMNAALDH1A1TDP1NPC1
SCHEMBL10533469 0.99 MAPT (0.46) MAPTLMNAALDH1A1TDP1NPC1
SCHEMBL10534800 0.99 MAPT (0.46) MAPTLMNAALDH1A1TDP1NPC1
SCHEMBL10532765 0.99 MAPT (0.46) MAPTLMNAALDH1A1TDP1NPC1
SCHEMBL10533486 0.99 MAPT (0.46) MAPTLMNAALDH1A1TDP1NPC1
SCHEMBL10534089 0.99 MAPT (0.46) MAPTLMNAALDH1A1TDP1NPC1
SCHEMBL10533400 0.88 CCNE1 (0.40) MAPTLMNAALDH1A1TDP1NPC1
SCHEMBL10534606 0.87 CCNE1 (0.39) MAPTLMNAALDH1A1TDP1NPC1
SCHEMBL10536419 0.87 CCNE1 (0.39) MAPTLMNAALDH1A1TDP1NPC1

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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