SCHEMBL6502680

SCHEMBL6502680

CCc1cc(-c2nc(C(=O)NCC(c3ccc(OC)cc3)C(OC(C)C)C(=O)O)c(C)s2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
WNT3A P56704 1/20 0.38
PDE10A Q9Y233 1/20 0.36
MAPK14 Q16539 1/20 0.36
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SREBF2 Q12772 2/20 0.34
ROCK1 Q13464 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
ADORA2A P29274 1/20 0.34
LMNA P02545 2/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARA Q07869 2/20 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
SCHEMBL6505070 0.82 TRPV1 (0.35) NPC1RAB9ASMN1; SMN2EGLN2EGLN1
SCHEMBL6503799 0.81 EGLN2 (0.35) NPC1SMN1; SMN2EGLN2EGLN1TP53
SCHEMBL6504635 0.81 MAPT (0.47) HPGDSMN1; SMN2LMNATP53MAPT
SCHEMBL6495548 0.79 TP53 (0.40) HPGDSMN1; SMN2TP53MAPTMEN1
SCHEMBL6496866 0.79 MAPT (0.40) NPC1SMN1; SMN2TP53MAPTPPARA
SCHEMBL7676306 0.79 MAPT (0.42) HPGDEGLN1LMNATP53MAPT
SCHEMBL6495786 0.78 NPC1 (0.38) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL6495572 0.76 EGLN2 (0.34) NPC1EGLN2EGLN1LMNATP53
SCHEMBL6496054 0.75 KDM4E (0.40) NPC1HPGDRAB9ASMN1; SMN2TP53
SCHEMBL6505584 0.75 DGAT1 (0.38) NPC1HPGDRAB9ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed