SCHEMBL20262009

SCHEMBL20262009

C=C(C)C(=O)OCCc1ccc(Nc2ccc(Nc3ccc(CCC=C(C)C(=O)O)cc3)c3c2C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CYP1A2 P05177 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PHLPP2 Q6ZVD8 1/20 0.36
▸ MTOR P42345 1/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ P2RY4 P51582 3/20 0.35
▸ P2RY12 Q9H244 3/20 0.35
▸ P2RY2 P41231 2/20 0.35
▸ PLAUR Q03405 2/20 0.35
▸ PABPC1 P11940 1/20 0.34

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
SCHEMBL29462117 0.89 MAPT (0.55) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL261845 0.89 MAPT (0.55) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL31616830 0.88 NPC1 (0.56) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL9915558 0.85 NPC1 (0.48) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL13178023 0.85 MAPT (0.64) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL20274482 0.85 NPC1 (0.50) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL14992726 0.84 MEN1 (0.46) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL14838826 0.83 MEN1 (0.47) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4253388 0.83 MAPT (0.47) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL8032993 0.82 MAPT (0.47) NPC1RAB9AMAPTMEN1KMT2A

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
EP-2785296-B1 OCULAR MASK HAVING SELECTIVE SPECTRAL TRANSMISSION ACUFOCUS INC (US) 2018-06-20 — — EP claimed
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