SCHEMBL31616830

SCHEMBL31616830

CC(=CCCc1ccc(Nc2ccc(Nc3ccc(CCC=C(C)C(=O)O)cc3)c3c2C(=O)c2ccccc2C3=O)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ CYP1A2 P05177 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ SIRT2 Q8IXJ6 2/20 0.43
▸ MTOR P42345 1/20 0.43
▸ PHLPP2 Q6ZVD8 1/20 0.43
▸ P2RY4 P51582 3/20 0.42
▸ P2RY12 Q9H244 3/20 0.42
▸ P2RY2 P41231 2/20 0.42
▸ PABPC1 P11940 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL20262009 0.88 NPC1 (0.45) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL31616833 0.78 MEN1 (0.59) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL375688 0.77 LMNA (0.87) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL13135365 0.77 NPC1 (0.65) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL28312216 0.76 NPC1 (0.58) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL197322 0.75 GRIK1 (0.53) NPC1RAB9ASMN1; SMN2
SCHEMBL197321 0.75 GRIK1 (0.53) NPC1RAB9ASMN1; SMN2
SCHEMBL10732288 0.75 NPC1 (0.62) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL13135364 0.74 LMNA (0.77) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL3975751 0.74 P2RY4 (0.62) 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
US-20250189826-A1 OPHTHALMIC DEVICES CONTAINING PHOTOSTABLE MIMICS OF MACULAR PIGMENT AND OTHER VISIBLE LIGHT FILTERS JOHNSON & JOHNSON VISION CARE, INC. 2025-06-12 — — US disclosed
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