SCHEMBL7423686

SCHEMBL7423686

CC(C)(C)OC(=O)c1cc2ccc(C(=O)OCc3ccccc3)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
KMT2A Q03164 5/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
MMP12 P39900 2/20 0.44
HPGD P15428 2/20 0.44
MMP1 P03956 1/20 0.44
FLT3 P36888 1/20 0.43
MEN1 O00255 3/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL7365088 0.83 HRH3 (0.55) LMNAKMT2ASLC6A2SLC6A3TDP1
SCHEMBL6947975 0.81 HRH3 (0.52) LMNAKMT2ATDP1RAB9AALDH1A1
SCHEMBL20612118 0.80 RAB9A (0.48) LMNARAB9AALDH1A1NPC1HPGD
SCHEMBL24848155 0.79 KMT2A (0.69) LMNAKMT2ASLC6A2SLC6A3TDP1
SCHEMBL8479941 0.78 GABRA1 (0.47) LMNARAB9AALDH1A1NPC1FLT3
SCHEMBL15876112 0.78 GRIN2D (0.58) LMNAKMT2ASLC6A2SLC6A3TDP1
SCHEMBL7425507 0.77 SRD5A2 (0.48) LMNATDP1RAB9AALDH1A1NPC1
SCHEMBL21101013 0.77 KDM4E (0.46) LMNAKMT2ARAB9AALDH1A1MAPT
SCHEMBL6512775 0.77 HRH3 (0.71) LMNAKMT2ASLC6A2SLC6A3RAB9A
SCHEMBL30741601 0.76 IDO1 (0.61) LMNAKMT2ASLC6A2SLC6A3TDP1

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-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed