SCHEMBL6604532

SCHEMBL6604532

Cc1ccccc1C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1C)C(=O)O.NCC(=O)Nc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.48
NPC1 O15118 3/20 0.46
NOTUM Q6P988 1/20 0.45
HTT P42858 2/20 0.44
LTA4H P09960 1/20 0.44
RECQL P46063 1/20 0.43
MAPT P10636 4/20 0.43
F2R P25116 2/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
RAB9A P51151 3/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL31152075 0.82 TSHR (0.58) HPGDNPC1RECQLMAPTRAB9A
SCHEMBL4198767 0.82 TSHR (0.58) HPGDNPC1RECQLMAPTRAB9A
SCHEMBL4179476 0.82 TSHR (0.58) HPGDNPC1RECQLMAPTRAB9A
SCHEMBL697167 0.82 TSHR (0.58) HPGDNPC1RECQLMAPTRAB9A
Water SCHEMBL9888402 0.81 TP53 (0.56) HPGDNPC1RECQLMAPTRAB9A
SCHEMBL188327 0.74 LTA4H (0.64) HTTLTA4HMAPTGAAMEN1
O-Tolylamine SCHEMBL28465688 0.74 NOTUM (0.51) HPGDNOTUMHTTLTA4HMAPT
SCHEMBL7761627 0.74 TP53 (0.47) HPGDNPC1HTTMAPTRAB9A
Hydrochloric Acid SCHEMBL355185 0.72 LTA4H (0.62) HTTLTA4HMAPTGAAMEN1
Bromide SCHEMBL11434219 0.72 LTA4H (0.62) HTTLTA4HMAPTGAAMEN1

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
EP-1404653-A1 TRIAMIDE-SUBSTITUTED INDOLES, BENZOFURANES AND BENZOTHIOPHENES AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) AND/OR APOLIPOPROTEIN B (APO B) SECRETION Pfizer Products Inc. (US) 2004-04-07 EP disclosed
WO-2003002533-A1 TRIAMIDE-SUBSTITUTED INDOLES, BENZOFURANES AND BENZOTHIOPHENES AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) AND/OR APOLIPOPROTEIN B (APO B) SECRETION PFIZER PRODUCTS INC. (US) 2003-01-09 WO disclosed