SCHEMBL7705248

SCHEMBL7705248

O=C(COc1ccccc1)Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.59
MAPT P10636 7/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
KDM4E B2RXH2 4/20 0.59
HPGD P15428 3/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
ALDH1A1 P00352 2/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
LMNA P02545 2/20 0.57
TSHR P16473 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TP53 P04637 2/20 0.53
PORCN Q9H237 2/20 0.52
ADRB2 P07550 1/20 0.52
HSD17B10 Q99714 1/20 0.52
POLB P06746 2/20 0.51
HAVCR2 Q8TDQ0 1/20 0.51

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
SCHEMBL7698683 0.88 MAPT (0.52) CETPMAPTSMN1; SMN2KDM4EHPGD
SCHEMBL7703221 0.84 RAB9A (0.67) MAPTSMN1; SMN2KDM4EHPGDNPC1
SCHEMBL7694001 0.83 MAPT (0.58) CETPMAPTSMN1; SMN2KDM4EHPGD
SCHEMBL7700048 0.82 NPC1 (0.50) CETPMAPTSMN1; SMN2KDM4EHPGD
SCHEMBL7701405 0.82 NPC1 (0.56) MAPTSMN1; SMN2KDM4EHPGDNPC1
SCHEMBL7694301 0.81 RAB9A (0.52) MAPTSMN1; SMN2KDM4EHPGDNPC1
SCHEMBL7698680 0.81 MAPT (0.53) MAPTSMN1; SMN2KDM4EHPGDNPC1
SCHEMBL7701153 0.81 ALDH1A1 (0.63) MAPTSMN1; SMN2KDM4EHPGDNPC1
SCHEMBL7696348 0.81 CETP (0.48) CETPMAPTSMN1; SMN2KDM4EHPGD
SCHEMBL7697078 0.80 HPGD (0.56) MAPTSMN1; SMN2KDM4EHPGDNPC1

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
WO-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 WO disclosed