SCHEMBL6503799

SCHEMBL6503799

COc1ccc(C(CNC(=O)c2nc(-c3ccc(C)cn3)sc2C)C(OC(C)C)C(=O)O)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
CSNK2A2 P19784 2/20 0.35
CSNK2A1 P68400 2/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
TP53 P04637 3/20 0.34
NPC1 O15118 1/20 0.34
DGAT1 O75907 1/20 0.34
KCNA3 P22001 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
COPS5 Q92905 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PLA2G1B P04054 1/20 0.32

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
SCHEMBL6495572 0.91 EGLN2 (0.34) EGLN2EGLN1CSNK2A2CSNK2A1HDAC3
SCHEMBL7676306 0.83 MAPT (0.42) EGLN1TP53ALDH1A1MAPTKDM4E
SCHEMBL6505070 0.83 TRPV1 (0.35) EGLN2EGLN1NPC1ALDH1A1MAPT
SCHEMBL6504635 0.82 MAPT (0.47) TP53ALDH1A1MAPTSMN1; SMN2ACACB
SCHEMBL6502680 0.81 CDC7 (0.41) EGLN2EGLN1HDAC3HDAC1HDAC6
SCHEMBL6496508 0.77 FFAR2 (0.35) TP53NPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6495943 0.77 FFAR1 (0.39) ALDH1A1MAPTSMN1; SMN2ACACB
SCHEMBL6505584 0.76 DGAT1 (0.38) TP53NPC1DGAT1ALDH1A1MAPT
SCHEMBL7684255 0.76 SHMT1 (0.40) ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL6495786 0.76 NPC1 (0.38) TP53NPC1ALDH1A1SMN1; SMN2

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