SCHEMBL8304535

SCHEMBL8304535

CC(C)(C)OC(=O)c1cc(OCc2ccccc2)c(C(=O)c2c(OCc3ccccc3)cccc2C(=O)OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
POLB P06746 2/20 0.40
PTGER1 P34995 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SLC7A5 Q01650 1/20 0.39
SLC6A2 P23975 1/20 0.39

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
SCHEMBL8305564 0.92 PTGER1 (0.46) HTTKMT2AMEN1PTGER1RAB9A
SCHEMBL9393208 0.91 SLC7A5 (0.45) TDP1L3MBTL1MAPK1KMT2AMEN1
SCHEMBL8304467 0.87 ALDH1A1 (0.51) HTTALDH1A1TDP1KMT2AMEN1
SCHEMBL9195548 0.86 HPGD (0.43) HTTALDH1A1TDP1L3MBTL1KMT2A
SCHEMBL9200286 0.86 RXRA (0.46) TDP1L3MBTL1MAPK1PTGER1RAB9A
SCHEMBL9202219 0.86 MRGPRX4 (0.51) ALDH1A1KMT2AMEN1CASP3RAB9A
SCHEMBL9200808 0.85 SLC7A5 (0.43) HTTTDP1L3MBTL1MAPK1PTGER1
SCHEMBL9203364 0.85 HTT (0.47) HTTALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL8308851 0.83 FOLH1 (0.41) ALDH1A1MAPK1KMT2AMEN1PTGER1
SCHEMBL9393268 0.83 MRGPRX4 (0.47) ALDH1A1KMT2AMEN1RAB9ASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758312-B1 SUBSTITUTED FUSED AND BRIDGED BICYCLIC COMPOUNDS AS THERAPEUTIC AGENTS LILLY CO ELI (US) 1999-12-22 EP disclosed
WO-1996005729-A1 VICINAL-SUBSTITUTED CARBOCYCLIC COMPOUNDS AS THERAPEUTIC AGENTS ELI LILLY AND COMPANY (US) 1996-02-29 WO disclosed
WO-1995030640-A1 SUBSTITUTED FUSED AND BRIDGED BICYCLIC COMPOUNDS AS THERAPEUTIC AGENTS ELI LILLY AND COMPANY (US) 1995-11-16 WO disclosed
US-5432198-A Enzyme inhibitors SPHINX PHARMACEUTICALS CORPORATION (US) 1995-07-11 US disclosed