SCHEMBL23925862

SCHEMBL23925862

O=C(O)[C@@H](Cc1ccccc1)NCO

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.56
NPSR1 Q6W5P4 1/20 0.54
CYP1A2 P05177 1/20 0.53
NAALAD2 Q9Y3Q0 2/20 0.53
FOLH1 Q04609 1/20 0.51
MMP2 P08253 4/20 0.51
MMP9 P14780 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ADAMTS4 O75173 1/20 0.51
ACE P12821 1/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50

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
SCHEMBL1921156 1.00 MME (0.56) MMENPSR1CYP1A2NAALAD2FOLH1
SCHEMBL1921155 1.00 MME (0.56) MMENPSR1CYP1A2NAALAD2FOLH1
SCHEMBL547710 0.87 NAALAD2 (0.55) MMENPSR1CYP1A2NAALAD2FOLH1
SCHEMBL547297 0.87 NAALAD2 (0.55) MMENPSR1CYP1A2NAALAD2FOLH1
SCHEMBL1272029 0.87 NAALAD2 (0.55) MMENPSR1CYP1A2NAALAD2FOLH1
SCHEMBL12207239 0.86 MME (0.57) MMENPSR1CYP1A2NAALAD2FOLH1
SCHEMBL7596254 0.86 MME (0.57) MMENPSR1CYP1A2NAALAD2FOLH1
SCHEMBL995917 0.85 NPSR1 (0.55) MMENPSR1CYP1A2NAALAD2FOLH1
SCHEMBL2214358 0.85 FOLH1 (0.55) MMENAALAD2FOLH1L3MBTL1ACE
SCHEMBL5597679 0.85 EPHX1 (0.51) MMECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024130161-A2 NOVEL CAMPTOTHECIN DERIVATIVES AND CONJUGATES THEREOF BIONECURE THERAPEUTICS INC (US) 2024-06-20 WO disclosed
EP-4135738-A2 METHOD OF TREATING CORONAVIRUS INFECTIONS Cohbar Inc. (US) 2023-02-22 EP disclosed
WO-2021211784-A2 METHOD OF TREATING CORONAVIRUS INFECTIONS COHBAR, INC. (US) 2021-10-21 WO disclosed