SCHEMBL19647312

SCHEMBL19647312

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)[C@@H](OC)[C@@H]1CCCN1C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
ALDH1A1 P00352 2/20 0.52
THRB P10828 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ATM Q13315 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
POLB P06746 1/20 0.49
GFER P55789 1/20 0.49
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
IL2RA P01589 1/20 0.43

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
SCHEMBL18912329 1.00 GAA (0.54) GAACYP2C9CYP2C19ALDH1A1THRB
SCHEMBL22810961 0.93 POLB (0.49) GAAALDH1A1HSD17B10POLBLMNA
SCHEMBL2734908 0.93 POLB (0.49) GAAALDH1A1HSD17B10POLBLMNA
SCHEMBL9892967 0.93 POLB (0.49) GAAALDH1A1HSD17B10POLBLMNA
SCHEMBL21699252 0.93 POLB (0.49) GAAALDH1A1HSD17B10POLBLMNA
SCHEMBL15313443 0.93 POLB (0.49) GAAALDH1A1HSD17B10POLBLMNA
SCHEMBL20196522 0.89 GAA (0.42) GAACYP2C9CYP2C19ALDH1A1THRB
SCHEMBL23209735 0.89 ATM (0.54) GAACYP2C9CYP2C19ALDH1A1THRB
SCHEMBL23209734 0.89 ATM (0.54) GAACYP2C9CYP2C19ALDH1A1THRB
SCHEMBL2755697 0.89 ATM (0.54) GAACYP2C9CYP2C19ALDH1A1THRB

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-2780039-B1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER (US) 2017-11-29 EP disclosed