SCHEMBL29640118

SCHEMBL29640118

CCOC(=O)C(F)(F)C(C)(O)c1cccc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.50
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TRPV4 Q9HBA0 1/20 0.43
ACSS2 Q9NR19 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
XBP1 P17861 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP2C9 P11712 1/20 0.40
SYK P43405 1/20 0.40
IDH1 O75874 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
SCHEMBL21199933 1.00 RXFP1 (0.50) RXFP1MAPTLMNAMAPK1HSD17B10
SCHEMBL29433559 0.87 RXFP1 (0.53) RXFP1MAPTLMNAMAPK1HSD17B10
SCHEMBL22670455 0.87 RXFP1 (0.53) RXFP1MAPTLMNAMAPK1HSD17B10
SCHEMBL31091996 0.81 RXFP1 (0.52) RXFP1MAPTLMNAACSS2ALDH1A1
SCHEMBL29626593 0.81 RXFP1 (0.52) RXFP1MAPTLMNAACSS2ALDH1A1
SCHEMBL21200044 0.81 SMN1; SMN2 (0.50) RXFP1MAPTLMNAMAPK1HSD17B10
SCHEMBL24027822 0.79 RXFP1 (0.57) RXFP1MAPTLMNAACSS2ALDH1A1
SCHEMBL30255999 0.79 RXFP1 (0.57) RXFP1MAPTLMNAACSS2ALDH1A1
SCHEMBL30042580 0.79 RXFP1 (0.73) RXFP1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL1013325 0.79 RXFP1 (0.73) RXFP1MAPTLMNAALDH1A1SMN1; SMN2

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-114450271-B Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2024-09-20 CN disclosed
CN-114450271-A Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2022-05-06 CN disclosed