SCHEMBL29967970

SCHEMBL29967970

COC(=O)[C@H](CCF)NC(=O)C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
ATM Q13315 1/20 0.42
CYP2C19 P33261 2/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
CYP3A4 P08684 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 2/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL28882521 0.88 CES1 (0.42) KMT2ACYP3A4GAATSHR
SCHEMBL28882519 0.88 CES1 (0.42) KMT2ACYP3A4GAATSHR
SCHEMBL8235468 0.74 CA1 (0.56) KMT2AALDH1A1LMNAGLAGAA
SCHEMBL712639 0.73 TAS1R3 (0.60) ALDH1A1LMNAGLAHSD17B10GAA
SCHEMBL714905 0.73 TAS1R3 (0.60) ALDH1A1LMNAGLAHSD17B10GAA
SCHEMBL8446744 0.72 LNPEP (0.54) ALDH1A1LMNAGLAGAARAB9A
SCHEMBL16359991 0.72 TAS1R3 (0.52) ALDH1A1LMNAGLAGAARAB9A
SCHEMBL12158277 0.72 LMNA (0.61) KMT2AALDH1A1LMNAGLAHSD17B10
SCHEMBL21362725 0.72 GAA (0.52) KMT2AALDH1A1LMNAGLAHSD17B10
SCHEMBL8234956 0.72 TAS1R3 (0.52) ALDH1A1LMNAGLAGAARAB9A

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
CN-115141138-B Method for constructing fluoride by decarboxylation of alkyl carboxylic acid 中山大学 2023-11-28 CN disclosed
CN-115141138-A Method for constructing fluoride by decarboxylation of alkyl carboxylic acid 中山大学 2022-10-04 CN disclosed