SCHEMBL21699258

SCHEMBL21699258

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 2/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
THRB P10828 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ATM Q13315 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
POLB P06746 1/20 0.45
GFER P55789 1/20 0.45
TSHR P16473 1/20 0.42
IL2RA P01589 1/20 0.42
ALB P02768 1/20 0.42
IL2 P60568 1/20 0.42

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
SCHEMBL21699268 1.00 CYP2C9 (0.49) CYP2C9CYP2C19ALDH1A1GAATHRB
SCHEMBL23154537 0.93 ACE (0.46) CYP2C9CYP2C19ALDH1A1GAATHRB
SCHEMBL18688556 0.93 ACE (0.46) CYP2C9CYP2C19ALDH1A1GAATHRB
SCHEMBL25949990 0.93 ACE (0.46) CYP2C9CYP2C19ALDH1A1GAATHRB
SCHEMBL22476544 0.92 MMP1 (0.44)
SCHEMBL19443278 0.92 MMP1 (0.44) CYP2C9CYP2C19ALDH1A1GAATHRB
SCHEMBL19393936 0.92 ATM (0.41) CYP2C9CYP2C19ALDH1A1GAATHRB
SCHEMBL22476506 0.91 ACE (0.41) CYP2C9CYP2C19ALDH1A1GAATHRB
SCHEMBL18683750 0.89 NPC1 (0.41) ALDH1A1GAAATML3MBTL1
SCHEMBL22476529 0.88 L3MBTL1 (0.45) CYP2C9CYP2C19ALDH1A1GAATHRB

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