SCHEMBL7472071

SCHEMBL7472071

C[C@](NC(=O)CCc1ccccc1)(C(=O)N[C@@H]1C(=O)N[C@@H]1SCCO)c1ccc2ccccc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
CYP2C19 P33261 1/20 0.34
UTS2R Q9UKP6 2/20 0.33
PPARD Q03181 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
TOP2A P11388 1/20 0.32
TOP2B Q02880 1/20 0.32
FFAR1 O14842 1/20 0.32
MLYCD O95822 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
RAB9A P51151 3/20 0.31
NPC1 O15118 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CCKBR P32239 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PRCP P42785 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31

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
SCHEMBL7479457 0.88 CTSL (0.40) POLBGAACYP2C19UTS2RPPARD
SCHEMBL7471833 0.81 CTSL (0.40) POLBGAACYP2C19UTS2RPPARD
SCHEMBL7448890 0.81 CTSK (0.43) POLBGAACYP2C19UTS2RPPARD
SCHEMBL7448530 0.81 CTSK (0.42) POLBGAACYP2C19PPARDNR1H4
SCHEMBL7473512 0.78 CTSK (0.37) POLBGAACYP2C19ALDH1A1
SCHEMBL7445750 0.76 CTSK (0.46)
SCHEMBL7443864 0.75 TPH1 (0.40) POLBGAACYP2C19PPARD
SCHEMBL7448507 0.72 KMT2A (0.42) POLBGAACYP2C19RAB9ANPC1
SCHEMBL10637143 0.70 EPHX2 (0.43) POLBCYP2C19ALDH1A1
SCHEMBL10637132 0.70 EPHX2 (0.43) POLBCYP2C19ALDH1A1

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-0950046-B1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS NAEJA PHARMACEUTICAL INC (CA) 2002-04-10 EP disclosed
US-5959123-A REACATING SUBSTITUTED AMINO ACID WITH 3-AMINO-4-SUBSTITUTED-AZETIDINE-2-ONE COMPOUND TO FORM 3, 4-DISUBSTITUTED-AZETIDINE-2-ONE COMPOUND; USEFUL FOR TREATING MUSCULAR DYSTROPHY, ARTHRITIS, VIRAL AND PARASITIC INFECTIONS SYNPHAR LABORATORIES, INC. (CA) 1999-09-28 US disclosed