SCHEMBL4551445

SCHEMBL4551445

CC(Nc1ccccc1C(F)(F)F)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
POLB P06746 4/20 0.49
MAPK1 P28482 1/20 0.49
HPGD P15428 2/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
GAA P10253 1/20 0.47
CRHR1 P34998 1/20 0.46
TAS2R14 Q9NYV8 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
EPHX2 P34913 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RBP4 P02753 2/20 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
SCHEMBL22721931 0.85 ALDH1A1 (0.60) ALDH1A1POLBGAASMN1; SMN2LMNA
SCHEMBL11069252 0.84 ALDH1A1 (0.50) ALDH1A1POLBMAPK1HPGDAKR1C3
SCHEMBL11069275 0.84 ALDH1A1 (0.50) ALDH1A1POLBMAPK1HPGDAKR1C3
SCHEMBL31753773 0.79 ALDH1A1 (0.50) ALDH1A1POLBMAPK1HPGDAKR1C3
SCHEMBL8172740 0.78 ALDH1A1 (0.53) ALDH1A1POLBMAPK1HPGDGAA
SCHEMBL714234 0.77 SMN1; SMN2 (0.66) ALDH1A1HPGDGAASMN1; SMN2LMNA
SCHEMBL714235 0.77 SMN1; SMN2 (0.66) ALDH1A1HPGDGAASMN1; SMN2LMNA
SCHEMBL29665643 0.77 SMN1; SMN2 (0.66) ALDH1A1HPGDGAASMN1; SMN2LMNA
SCHEMBL11141439 0.76 ALDH1A1 (0.55) ALDH1A1POLBGAASMN1; SMN2LMNA
SCHEMBL9073576 0.76 ALDH1A1 (0.55) ALDH1A1POLBGAASMN1; SMN2LMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118891261-A Covalent EGFR inhibitors and methods of use thereof 丹娜-法伯癌症研究院 2024-11-01 CN disclosed
CN-104379146-B Inhibit the composition and method of varial polymerases 拜奥克里斯特制药公司 2018-07-10 CN disclosed
CN-106573073-A FAP-activated therapeutics and uses related thereto 塔夫茨大学信托人 2017-04-19 CN disclosed
CN-104379146-A Compositions and methods for inhibiting viral polymerase BIOCRYST PHARM INC 2015-02-25 CN disclosed
CN-102781236-B Amino acid conjugates of quetiapine, methods of making and using the same KEMPHARM INC 2015-01-07 CN disclosed
CN-102781236-A Amino acid conjugates of quetiapine, methods of making and using the same KEMPHARM INC 2012-11-14 CN disclosed
EP-2036918-A1 PEPTIDE DERIVATIVE Vexon, Inc. (JP) 2009-03-18 EP disclosed
EP-0961779-A1 SUBSTITUTED AMINO BICYCLIC-$g(b)-LACTAM PENAM AND CEPHAM DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS SYNPHAR LABORATORIES INC. (CA) 1999-12-08 EP disclosed
WO-1998032766-A1 SUBSTITUTED AMINO BICYCLIC-β-LACTAM PENAM AND CEPHAM DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS SYNPHAR LABORATORIES INC. (US) 1998-07-30 WO disclosed