SCHEMBL6419655

SCHEMBL6419655

O=C(OCCc1cccs1)C(=O)On1cnc2c1CCN(C(=O)O)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.37
HPGD P15428 3/20 0.34
HSD17B10 Q99714 3/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL6420249 0.90 PTGDR2 (0.36) PTGDR2HPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL6423488 0.83 CHRM5 (0.39) PTGDR2CYP1A2CYP2C9CYP2C19NAMPT
SCHEMBL6422824 0.81 CHRM5 (0.41) PTGDR2ALDH1A1MEN1MAPTKMT2A
SCHEMBL6422956 0.80 CHRM5 (0.42) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6421750 0.80 CHRM5 (0.43) PTGDR2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL6420064 0.77 GRIN2B (0.38) PTGDR2ALDH1A1KDM4EMEN1MAPT
SCHEMBL6420518 0.76 CHRM2 (0.36) ALDH1A1LMNAPDK2
SCHEMBL6422607 0.75 P2RX7 (0.43) PTGDR2ALDH1A1MAPTPOLBPDK2
SCHEMBL6419465 0.75 PDK2 (0.36) PTGDR2NPC1RAB9AMAPTCYP2C9
SCHEMBL6419294 0.74 PDK2 (0.37) PTGDR2HSD17B10ALDH1A1SMN1; SMN2KDM4E

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
US-6908926-B1 Substituted imidazoles, their preparation and use NOVO NORDISK A/S (DK) 2005-06-21 US disclosed
EP-1173438-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2002-01-23 EP disclosed
WO-2000063208-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-10-26 WO disclosed