SCHEMBL5327618

SCHEMBL5327618

Cc1nc2c(O)c(CCC(=O)c3ccccc3)c(C(=O)O)cn2c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.38
HSD11B1 P28845 4/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 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
SCHEMBL4994479 0.89 KMT2A (0.36) GLAHSD11B1HPGDALDH1A1RAB9A
SCHEMBL5330704 0.88 SMN1; SMN2 (0.43) HPGDALDH1A1HSD17B10KDM4ERAB9A
Bicarbonate SCHEMBL4976269 0.88 KMT2A (0.35) GLAHSD11B1HPGDALDH1A1RAB9A
SCHEMBL5559185 0.86 KMT2A (0.42) HPGDALDH1A1HSD17B10KDM4ERAB9A
Formic Acid SCHEMBL4976263 0.86 HSD11B1 (0.34) GLAHSD11B1HPGDALDH1A1RAB9A
SCHEMBL5328503 0.85 ADRA1D (0.40) RAB9ANPC1CYP3A4CYP2C9CYP2D6
SCHEMBL4977670 0.80 P2RX3 (0.36) GLAHPGDALDH1A1HSD17B10KDM4E
SCHEMBL5035217 0.78 ALDH1A1 (0.38) GLAHSD11B1HPGDALDH1A1RAB9A
SCHEMBL5327607 0.77 HSD11B1 (0.35) GLAHSD11B1ALDH1A1HSD17B10RAB9A
SCHEMBL5566421 0.76 HSD11B1 (0.37) HSD11B1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007141253-A1 PROCESS FOR THE PRODUCTION OF INTERMEDIATES FOR THE PREPARATION OF TRICYCLIC IMIDAZOPYRIDINES NYCOMED GMBH (DE) 2007-12-13 WO disclosed
EP-1697358-A1 INTERMEDIATES FOR THE PREPARATION OF TRICYCLIC DIHYDROPYRANO -IMIDAZO -PYRIDINES DERIVATIVES Altana Pharma AG (DE) 2006-09-06 EP disclosed
WO-2005058894-A1 INTERMEDIATES FOR THE PREPARATION OF TRICYCLIC DIHYDROPYRANO -IMIDAZO -PYRIDINES DERIVATIVES ALTANA PHARMA AG (DE) 2005-06-30 WO disclosed