SCHEMBL28856512

SCHEMBL28856512

CCOC(=O)C(C)(C)Sc1ccc(Br)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.41
PPOX P50336 4/20 0.41
SLC22A12 Q96S37 2/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 2/20 0.38
MMP8 P22894 1/20 0.37
CYP1A2 P05177 2/20 0.36
TSHR P16473 2/20 0.36
ABCB11 O95342 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR2A P28223 1/20 0.36
PMP22 Q01453 1/20 0.36
ALDH1A1 P00352 4/20 0.35
PIN1 Q13526 1/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL28856520 0.77 SLC22A12 (0.39) PPARAPPOXSLC22A12TP53POLB
SCHEMBL3284462 0.74 ALDH1A1 (0.46) PPARASLC22A12TP53MMP8CYP1A2
SCHEMBL28856519 0.73 SLC22A12 (0.38) PPARAPPOXSLC22A12TP53POLB
SCHEMBL31284515 0.73 PIN1 (0.40) PPARAPOLBMMP8CYP1A2TSHR
SCHEMBL15038070 0.73 HDAC4 (0.41) POLBMMP8CYP1A2TSHRALDH1A1
SCHEMBL28856529 0.72 TP53 (0.33) PPARAPPOXSLC22A12TP53POLB
SCHEMBL9994877 0.72 PIN1 (0.45) PPARAPPOXSLC22A12TP53POLB
SCHEMBL737377 0.71 SMN1; SMN2 (0.49) PPOXSLC22A12TP53CYP1A2TSHR
SCHEMBL1464689 0.70 PIN1 (0.50) PPARATP53POLBMMP8CYP1A2
SCHEMBL1465616 0.70 ALDH1A1 (0.46) PPARATP53POLBMMP8CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109608432-B Thiophene derivatives as URAT1 inhibitors 江苏艾立康医药科技有限公司 2022-10-11 CN disclosed