SCHEMBL27682174

SCHEMBL27682174

CC(C)(CC(=O)COCC1CC1)C(=Cc1cncc(Br)c1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
ATM Q13315 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
PRNP P04156 1/20 0.31
LMNA P02545 1/20 0.31
LNPEP Q9UIQ6 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL4779625 0.78 PTGIR (0.35) PTGIRSMN1; SMN2ATMPRNPLMNA
SCHEMBL4779637 0.78 PTGIR (0.35) PTGIRSMN1; SMN2ATMPRNPLMNA
SCHEMBL27682177 0.76 SMN1; SMN2 (0.34) PTGIRSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL4774651 0.68 PTGIR (0.46) PTGIRPRNP
SCHEMBL4774647 0.68 PTGIR (0.46) PTGIRPRNP
SCHEMBL28764860 0.64 PTGIR (0.41) PTGIR
SCHEMBL4774000 0.63 POLB (0.37) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
SCHEMBL4772738 0.63 POLB (0.37) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
SCHEMBL4772731 0.63 POLB (0.37) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
SCHEMBL4778680 0.63 PTGIR (0.42) PTGIRNPC1RAB9APRNPL3MBTL1

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-1980927-A Pyrazolopyridine derivatives ASTELLAS PHARMA INC (JP) 2007-06-13 CN disclosed