SCHEMBL9017474

SCHEMBL9017474

CCCCc1ccc(C(=O)c2c(OC)ccc3[nH]c(C)c(CC(=O)O)c23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AKR1C2 P52895 1/20 0.42
SLC2A1 P11166 1/20 0.42
PLK1 P53350 1/20 0.40
PTPN5 P54829 1/20 0.39
RARB P10826 1/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37

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
SCHEMBL9017484 0.85 AKR1C2 (0.56) ALDH1A1HSD17B10AKR1C2PTPN5MAPT
SCHEMBL6013496 0.85 AKR1C2 (0.49) ALDH1A1HPGDHSD17B10AKR1C2SLC2A1
SCHEMBL998208 0.84 AKR1C2 (0.46) ALDH1A1HPGDAKR1C2MAPTKDM4E
SCHEMBL27603211 0.80 SLC2A1 (0.54) ALDH1A1AKR1C2SLC2A1MAPTKDM4E
SCHEMBL9017471 0.78 AKR1C2 (0.47) ALDH1A1AKR1C2SLC2A1MAPTKDM4E
SCHEMBL9017473 0.78 AKR1C2 (0.47) ALDH1A1AKR1C2MAPTKDM4EGAA
SCHEMBL5499426 0.77 AKR1C2 (0.48) ALDH1A1AKR1C2MAPTKDM4EGAA
SCHEMBL5496301 0.77 AKR1C2 (0.46) ALDH1A1AKR1C2SLC2A1MAPTKDM4E
SCHEMBL7755896 0.76 AKR1C2 (0.43) ALDH1A1HPGDHSD17B10AKR1C2MAPT
SCHEMBL11466556 0.76 MAPT (0.45) ALDH1A1HSD17B10AKR1C2MAPTKDM4E

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-0746544-A1 NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS MERRELL PHARMACEUTICALS INC. (US) 1996-12-11 EP disclosed
WO-1995022524-A1 NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS MERRELL PHARMACEUTICALS INC. (US) 1995-08-24 WO disclosed