SCHEMBL10418686

SCHEMBL10418686

C=CCOC(=O)O[C@H](C)[C@H]1C(=O)N2C(C(=O)OCC=C)=C(COc3ccc(CSc4nnnn4C)cc3)S[C@H]12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.56
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
MAPK10 P53779 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
NR1I2 O75469 1/20 0.33
PGR P06401 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL10419983 0.83 ELANE (0.45) ELANEALDH1A1MAPT
SCHEMBL10418947 0.82 ELANE (0.42) ELANESMN1; SMN2NPC1TP53
SCHEMBL10418966 0.82 ELANE (0.42) ELANEALDH1A1RAB9ANPC1TP53
SCHEMBL10419558 0.82 ELANE (0.49) ELANECASP1
SCHEMBL10418978 0.81 ELANE (0.41) ELANECASP1
SCHEMBL10419560 0.81 ELANE (0.43) ELANEALDH1A1GAA
SCHEMBL10418979 0.80 FAAH (0.42) ELANECASP1
SCHEMBL9342290 0.80 ELANE (0.60) ELANESMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL10711875 0.80 SMN1; SMN2 (0.42) ELANESMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL10418949 0.79 ELANE (0.40) ELANESMN1; SMN2RAB9ANPC1GAA

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
US-4965260-A PENICILLINS CIBA-GEIGY CORPORATION (US) 1990-10-23 US disclosed