SCHEMBL9017478

SCHEMBL9017478

COc1ccc2[nH]c(C)c(C(C)C(=O)O)c2c1CCCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.40
POLB P06746 1/20 0.39
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HTR2A P28223 1/20 0.37
SLC2A1 P11166 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
SCHEMBL9017471 0.81 AKR1C2 (0.47) LPAR1POLBPDE4APDE4BPDE4C
SCHEMBL9094851 0.80 PTPN5 (0.40) PDE4DMEN1KMT2ALMNAMAPT
SCHEMBL6423220 0.77 PTGS2 (0.36) PDE4DMEN1KMT2ARAB9ALMNA
SCHEMBL9017486 0.74 TUBB4A (0.41) MAPT
SCHEMBL6425282 0.71 MRGPRX4 (0.37) POLBMEN1KMT2ARAB9AKDM4E
SCHEMBL4067303 0.70 PTGS2 (0.41) POLBPDE4DMEN1KMT2ALMNA
SCHEMBL6424071 0.70 MET (0.39) ALDH1A1MAPT
SCHEMBL5496404 0.69 PTPN5 (0.39) MEN1KMT2ALMNA
SCHEMBL7693001 0.69 AKR1C2 (0.49) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL7699488 0.68 ALDH1A1 (0.50) POLBMEN1KMT2ARAB9AALDH1A1

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