SCHEMBL20196483

SCHEMBL20196483

CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(Cc1ccccc1)C(=O)OC)OC)N(C)C(=O)CNC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.37
REN P00797 2/20 0.37
SSTR2 P30874 2/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP2C9 P11712 2/20 0.36
THRB P10828 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FAP Q12884 1/20 0.36
ACE P12821 7/20 0.35
ACE2 Q9BYF1 5/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 1/20 0.35
YAP1 P46937 1/20 0.35

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
SCHEMBL19647231 1.00 ATM (0.41) ATML3MBTL1GAARENSSTR2
SCHEMBL21699253 1.00 ATM (0.41) ATML3MBTL1GAARENSSTR2
SCHEMBL20054942 1.00 ATM (0.41) ATML3MBTL1GAARENSSTR2
SCHEMBL21699555 1.00 ATM (0.41) ATML3MBTL1GAARENSSTR2
SCHEMBL19393925 0.95 ACE (0.39) ATML3MBTL1SSTR2ALDH1A1HSD17B10
SCHEMBL24837234 0.94 SSTR2 (0.39) ATML3MBTL1GAARENSSTR2
SCHEMBL24201016 0.94 SSTR2 (0.39) ATML3MBTL1GAARENSSTR2
SCHEMBL20634215 0.94 ATM (0.43) ATML3MBTL1GAARENSSTR2
SCHEMBL14978847 0.94 ATM (0.43) ATML3MBTL1GAARENSSTR2
SCHEMBL20228064 0.93 ATM (0.40) ATML3MBTL1GAARENSSTR2

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 4 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-3388427-B1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PF MEDICAMENT (FR) 2022-01-19 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
EP-3327027-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF Pfizer Inc (US) 2018-05-30 EP disclosed