SCHEMBL25909565

SCHEMBL25909565

C/C(=C\c1ccc(N(C)C)cc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.65
PTGS2 P35354 1/20 0.65
ALDH1A1 P00352 9/20 0.62
MAPT P10636 8/20 0.62
KMT2A Q03164 8/20 0.62
LMNA P02545 2/20 0.62
GAA P10253 1/20 0.62
RAB9A P51151 6/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
MAPK1 P28482 1/20 0.61
NPC1 O15118 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MEN1 O00255 4/20 0.55
RELA Q04206 1/20 0.55
HPGD P15428 2/20 0.52
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
PKM P14618 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49

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
SCHEMBL14570726 1.00 PTGS1 (0.65) PTGS1PTGS2ALDH1A1MAPTKMT2A
SCHEMBL4585196 0.87 ESR1 (0.52) PTGS1PTGS2ALDH1A1MAPTKMT2A
SCHEMBL10746258 0.85 ESR1 (0.50) PTGS1PTGS2ALDH1A1MAPTKMT2A
SCHEMBL19795462 0.85 ESR1 (0.50) PTGS1PTGS2ALDH1A1MAPTKMT2A
SCHEMBL9317348 0.83 ALDH1A1 (0.63) PTGS1PTGS2ALDH1A1MAPTKMT2A
SCHEMBL13808874 0.82 ESR1 (0.47) PTGS1PTGS2ALDH1A1MAPTKMT2A
SCHEMBL726320 0.82 ESR1 (0.58) PTGS1PTGS2ALDH1A1ESR1ESR2
SCHEMBL1225178 0.82 ESR1 (0.58) PTGS1PTGS2ALDH1A1ESR1ESR2
SCHEMBL726321 0.82 ESR1 (0.58) PTGS1PTGS2ALDH1A1ESR1ESR2
SCHEMBL14984198 0.81 PTGS1 (0.59) PTGS1PTGS2ALDH1A1MAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230241597-A1 PLATFORM FOR THE RECOVERY OF TRANSITION METAL CATALYSTS TEXAS TECH UNIVERSITY SYSTEM 2023-08-03 US disclosed
US-20230241597-A1 PLATFORM FOR THE RECOVERY OF TRANSITION METAL CATALYSTS TEXAS TECH UNIVERSITY SYSTEM 2023-08-03 US disclosed