SCHEMBL11822361

SCHEMBL11822361

C/C=C(/C(=O)O)c1ccc2c(c1)Cc1ccccc1S2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ PTGS2 P35354 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ SRD5A2 P31213 2/20 0.40
▸ MAPT P10636 7/20 0.39
▸ MEN1 O00255 6/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ HPGD P15428 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ NOX1 Q9Y5S8 3/20 0.37
▸ CYBB P04839 1/20 0.37
▸ APP P05067 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ SNCA P37840 1/20 0.37

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
SCHEMBL11822375 1.00 LMNA (0.42) LMNAALDH1A1PTGS2OPRK1PDE4D
SCHEMBL11823612 0.82 ALDH1A1 (0.46) LMNAALDH1A1PTGS2OPRK1PDE4D
SCHEMBL15846800 0.82 SRD5A2 (0.58) LMNAALDH1A1PTGS2OPRK1PDE4D
SCHEMBL11827754 0.82 NOX1 (0.42) LMNAMAPTMEN1KMT2AKDM4E
SCHEMBL11827768 0.82 NOX1 (0.42) LMNAMAPTMEN1KMT2AKDM4E
SCHEMBL27791546 0.81 ALDH1A1 (0.49) LMNAALDH1A1PTGS2OPRK1PDE4D
SCHEMBL11828287 0.80 ALDH1A1 (0.43) LMNAALDH1A1PTGS2OPRK1PDE4D
SCHEMBL28354228 0.75 AKR1C1 (0.50) ALDH1A1PTGS2SRD5A2MAPTMEN1
SCHEMBL27794501 0.73 SRD5A2 (0.58) LMNAALDH1A1SRD5A2MAPTMEN1
SCHEMBL11836394 0.72 ALOX5 (0.38) LMNAALDH1A1MAPTMEN1KMT2A

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-3975403-A Sulfur-containing ring compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-08-17 — — US disclosed
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