SCHEMBL29634854

SCHEMBL29634854

O=C(O)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
FABP5 Q01469 3/20 0.44
FABP7 O15540 2/20 0.44
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
FFAR2 O15552 1/20 0.39

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
SCHEMBL22648502 1.00 ACE (0.45) ACEKMT2AMEN1CYP3A4ALOX15
SCHEMBL28777376 1.00 ACE (0.45) ACEKMT2AMEN1CYP3A4ALOX15
SCHEMBL3308417 1.00 ACE (0.45) ACEKMT2AMEN1CYP3A4ALOX15
SCHEMBL17356388 1.00 ACE (0.45) ACEKMT2AMEN1CYP3A4ALOX15
SCHEMBL30532495 0.98 ACE (0.45) ACEKMT2AMEN1CYP3A4ALOX15
SCHEMBL4802204 0.98 ACE (0.45) ACEKMT2AMEN1CYP3A4ALOX15
SCHEMBL29779377 0.98 ACE (0.45) ACEKMT2AMEN1CYP3A4ALOX15
SCHEMBL22636129 0.98 ACE (0.45) ACEKMT2AMEN1CYP3A4ALOX15
SCHEMBL28944303 0.98 ACE (0.45) ACEKMT2AMEN1CYP3A4ALOX15
SCHEMBL29401050 0.98 ACE (0.45) ACEKMT2AMEN1CYP3A4ALOX15

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
CN-114585637-B MASP-inhibitory compounds and uses thereof 拜耳公司 2025-04-15 CN disclosed
CN-114585637-A MASP inhibiting compounds and uses thereof 拜耳公司 2022-06-03 CN disclosed