SCHEMBL21699252

SCHEMBL21699252

COC(C(C)C(=O)NC(Cc1ccccc1)C(=O)O)C1CCCN1C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
ACE P12821 7/20 0.48
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MME P08473 8/20 0.46
CPA1 P15085 5/20 0.46
ACE2 Q9BYF1 5/20 0.46
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 1/20 0.44

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
SCHEMBL22810961 1.00 POLB (0.49) POLBACEALDH1A1HSD17B10MME
SCHEMBL9892967 1.00 POLB (0.49) POLBACEALDH1A1HSD17B10MME
SCHEMBL2734908 1.00 POLB (0.49) POLBACEALDH1A1HSD17B10MME
SCHEMBL15313443 1.00 POLB (0.49) POLBACEALDH1A1HSD17B10MME
SCHEMBL18912329 0.93 GAA (0.54) POLBALDH1A1HSD17B10GAALMNA
SCHEMBL19647312 0.93 GAA (0.54) POLBALDH1A1HSD17B10GAALMNA
SCHEMBL22600820 0.90 NPC1 (0.44) ACEMMEGAALMNAKMT2A
SCHEMBL26765974 0.90 NPC1 (0.44) ACEMMEGAALMNAKMT2A
SCHEMBL22476513 0.89 GAA (0.42) ACEALDH1A1HSD17B10GAA
SCHEMBL2755704 0.89 ALDH1A1 (0.52) POLBACEALDH1A1HSD17B10MME

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
EP-3607996-B1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PF MEDICAMENT (FR) 2023-01-04 EP disclosed
EP-3607996-A1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2020-02-12 EP disclosed