SCHEMBL16360424

SCHEMBL16360424

CC(C)C(=O)C(=O)c1ccc(C[C@H](C)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
PPARG P37231 1/20 0.47
TBXAS1 P24557 2/20 0.47
PTGS1 P23219 3/20 0.42
PTGS2 P35354 3/20 0.42
LMNA P02545 2/20 0.42
CYP2C9 P11712 2/20 0.42
AKR1C3 P42330 2/20 0.42
CXCR1 P25024 2/20 0.42
CXCR2 P25025 2/20 0.42
ALB P02768 1/20 0.42
ESR1 P03372 1/20 0.42
ALOX5 P09917 1/20 0.42
RARB P10826 1/20 0.42
ADRB3 P13945 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR2A P28223 1/20 0.42
NR1I3 Q14994 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
CXCL8 P10145 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
SCHEMBL15905964 0.84 TBXAS1 (0.51) EPHX2PPARGTBXAS1PTGS1PTGS2
SCHEMBL13594789 0.84 TBXAS1 (0.51) EPHX2PPARGTBXAS1PTGS1PTGS2
SCHEMBL13410540 0.83 SLC7A5 (0.57) PTGS1PTGS2LMNANFKB1HTR2A
SCHEMBL12142605 0.83 SLC7A5 (0.57) PTGS1PTGS2LMNANFKB1HTR2A
SCHEMBL11237591 0.83 TBXAS1 (0.59) TBXAS1PTGS1PTGS2LMNACYP2C9
SCHEMBL14640265 0.82 ALDH1A1 (0.55) EPHX2PPARGTBXAS1PTGS1PTGS2
SCHEMBL15905947 0.81 CES2 (0.55) EPHX2PPARGTBXAS1PTGS1PTGS2
SCHEMBL23097488 0.81 TAAR1 (0.53)
SCHEMBL12142803 0.80 KMT2A (0.55) EPHX2PPARGTBXAS1PTGS1PTGS2
SCHEMBL19485698 0.80 KMT2A (0.55) EPHX2PPARGTBXAS1PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3170821-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACID LINKED DOLASTATIN DERIVATIVES Ambrx, Inc. (US) 2017-05-24 EP disclosed
EP-2714685-B1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACID LINKED DOLASTATIN DERIVATIVES AMBRX INC (US) 2016-10-19 EP disclosed
WO-2012166560-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACID LINKED DOLASTATIN DERIVATIVES AMBRX, INC. (US) 2012-12-06 WO disclosed