SCHEMBL6503012

SCHEMBL6503012

CCCOc1ccc(C(CNC(=O)c2nc(-c3ccccc3Cl)sc2C)C(OC(C)C)C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.39
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
THRB P10828 1/20 0.36
FFAR2 O15552 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
GPR88 Q9GZN0 1/20 0.34
TP53 P04637 2/20 0.34
ACACB O00763 1/20 0.33
UBE2N P61088 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNB2 P17787 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
SCHEMBL6505584 0.94 DGAT1 (0.38) MAPTALDH1A1LMNARXFP1FFAR2
SCHEMBL6496508 0.91 FFAR2 (0.35) MAPTALDH1A1LMNARXFP1FFAR2
SCHEMBL6495786 0.88 NPC1 (0.38) ALDH1A1LMNASMN1; SMN2NPC1NFKB1
SCHEMBL6496866 0.86 MAPT (0.40) MAPTTHRBSMN1; SMN2NPC1TP53
SCHEMBL6506148 0.86 KMT2A (0.38) ALDH1A1RXFP1FFAR2SMN1; SMN2ACACB
SCHEMBL6496054 0.85 KDM4E (0.40) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6495548 0.81 TP53 (0.40) MAPTSMN1; SMN2TP53ACACBMEN1
SCHEMBL6504635 0.79 MAPT (0.47) MAPTALDH1A1LMNATHRBSMN1; SMN2
SCHEMBL7676306 0.76 MAPT (0.42) MAPTALDH1A1LMNATP53MEN1
SCHEMBL6503799 0.75 EGLN2 (0.35) MAPTALDH1A1RXFP1SMN1; SMN2NPC1

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