SCHEMBL8305564

SCHEMBL8305564

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.46
MRGPRX4 Q96LA9 5/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
FOLH1 Q04609 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MCL1 Q07820 1/20 0.41
SLC7A5 Q01650 1/20 0.41
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL9393208 0.93 SLC7A5 (0.45) PTGER1MRGPRX4RXRARXRBRXRG
SCHEMBL8304535 0.92 HTT (0.44) PTGER1MEN1KMT2ASLC7A5HTT
SCHEMBL9200286 0.88 RXRA (0.46) PTGER1MRGPRX4RXRARXRBRXRG
SCHEMBL9202219 0.88 MRGPRX4 (0.51) MRGPRX4RXRARXRBRXRGMEN1
SCHEMBL9200808 0.87 SLC7A5 (0.43) PTGER1MRGPRX4RXRARXRBRXRG
SCHEMBL8308851 0.85 FOLH1 (0.41) PTGER1MRGPRX4RXRARXRBRXRG
SCHEMBL9204010 0.85 RXRA (0.48) PTGER1MRGPRX4RXRARXRBRXRG
SCHEMBL9393268 0.84 MRGPRX4 (0.47) MRGPRX4RXRARXRBRXRGMEN1
SCHEMBL8304467 0.80 ALDH1A1 (0.51) PTGER1MRGPRX4FOLH1MEN1KMT2A
SCHEMBL9195548 0.80 HPGD (0.43) RXRARXRBRXRGFOLH1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687249-A1 BALANOIDS ELI LILLY AND COMPANY (US) 1995-12-20 EP claimed
WO-1994020062-A2 BALANOIDS AS PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1994-09-15 WO claimed
EP-0758312-B1 SUBSTITUTED FUSED AND BRIDGED BICYCLIC COMPOUNDS AS THERAPEUTIC AGENTS LILLY CO ELI (US) 1999-12-22 EP disclosed
EP-0758312-A4 SUBSTITUTED FUSED AND BRIDGED BICYCLIC COMPOUNDS AS THERAPEUTIC AGENTS LILLY CO ELI (US) 1997-09-10 EP disclosed
EP-0758312-A1 SUBSTITUTED FUSED AND BRIDGED BICYCLIC COMPOUNDS AS THERAPEUTIC AGENTS ELI LILLY AND COMPANY (US) 1997-02-19 EP disclosed
US-5583221-A ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS, VIRICIDES, FUNGICIDES ELI LILLY AND COMPANY (US) 1996-12-10 US disclosed
WO-1996005729-A1 VICINAL-SUBSTITUTED CARBOCYCLIC COMPOUNDS AS THERAPEUTIC AGENTS ELI LILLY AND COMPANY (US) 1996-02-29 WO disclosed
EP-0687249-A1 BALANOIDS ELI LILLY AND COMPANY (US) 1995-12-20 EP 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
WO-1994020062-A2 BALANOIDS AS PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1994-09-15 WO disclosed