SCHEMBL28700992

SCHEMBL28700992

CC(=O)[C@@H](NC(=O)OCc1ccccc1)C1CCC(F)(F)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.47
TSHR P16473 9/20 0.47
ALDH1A1 P00352 6/20 0.47
CYP2C9 P11712 5/20 0.47
CTSK P43235 5/20 0.47
CYP2C19 P33261 4/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ELANE P08246 1/20 0.46
ATM Q13315 1/20 0.46
CYP1A2 P05177 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALOX15 P16050 1/20 0.46
DPP4 P27487 1/20 0.46
KCNH2 Q12809 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
CASP1 P29466 1/20 0.45

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
SCHEMBL28700994 1.00 CYP3A4 (0.47) CYP3A4TSHRALDH1A1CYP2C9CTSK
SCHEMBL18526738 0.91 CYP3A4 (0.51) CYP3A4TSHRALDH1A1CYP2C9CTSK
SCHEMBL754130 0.91 CYP3A4 (0.51) CYP3A4TSHRALDH1A1CYP2C9CTSK
SCHEMBL22207625 0.91 CYP3A4 (0.48) CYP3A4TSHRALDH1A1CYP2C9CTSK
SCHEMBL31582591 0.91 CYP3A4 (0.48) CYP3A4TSHRALDH1A1CYP2C9CTSK
SCHEMBL1162709 0.91 CYP3A4 (0.48) CYP3A4TSHRALDH1A1CYP2C9CTSK
SCHEMBL30672437 0.88 DPP4 (0.48) CYP3A4TSHRALDH1A1CYP2C9CTSK
SCHEMBL22213837 0.87 DPP4 (0.45) CYP3A4TSHRALDH1A1CYP2C9CTSK
SCHEMBL22207840 0.87 KDM1A (0.45) CYP3A4TSHRALDH1A1CYP2C9CTSK
SCHEMBL22207839 0.87 KDM1A (0.45) CYP3A4TSHRALDH1A1CYP2C9CTSK

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-113906025-A Imidazopyridine derivatives as IL-17 modulators UCB生物制药有限责任公司 2022-01-07 CN disclosed