SCHEMBL28330985

SCHEMBL28330985

NC(=O)OCc1cccc(CO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.47
PRKCD Q05655 1/20 0.47
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 2/20 0.40
F2 P00734 2/20 0.40
ENPP2 Q13822 1/20 0.40
NOS3 P29474 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
SCHEMBL9677464 0.92 LMNA (0.48) LMNAALDH1A1F2POLBHCAR2
SCHEMBL17764411 0.91 ACMSD (0.49) PRKCAPRKCDPRSS1PRSS2PRSS3
SCHEMBL20109593 0.85 ENPP2 (0.52) MRGPRX4LMNASMN1; SMN2ALDH1A1ENPP2
SCHEMBL27795850 0.84 LMNA (0.42) PRKCAPRKCDLMNAALDH1A1F2
SCHEMBL26992213 0.84 FFAR1 (0.43) MRGPRX4LMNASMN1; SMN2TP53MAPT
SCHEMBL31139242 0.84 ALDH1A1 (0.43) PRKCAPRKCDLMNATSHRALDH1A1
SCHEMBL6648255 0.84 ALDH1A1 (0.43) PRKCAPRKCDLMNASMN1; SMN2TSHR
SCHEMBL16866095 0.83 PRKCA (0.48) PRKCAPRKCDMRGPRX4SMN1; SMN2TSHR
SCHEMBL13464668 0.82 PRKCA (0.42) PRKCAPRKCDPRSS1PRSS2PRSS3
SCHEMBL3881721 0.81 THRA (0.47) LMNAALDH1A1POLBHCAR2

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-110545814-A Chemokine CXCR4 receptor modulators and uses related thereto UNIV EMORY 2019-12-06 CN disclosed