SCHEMBL8308858

SCHEMBL8308858

COc1ccc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2O)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.47
NAMPT P43490 1/20 0.47
TSHR P16473 2/20 0.46
ATM Q13315 1/20 0.45
PYGL P06737 2/20 0.44
TP53 P04637 1/20 0.44
CNR1 P21554 1/20 0.44

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
SCHEMBL8304193 1.00 PRMT5 (0.49) PRMT5WDR77MEN1KMT2ARAB9A
SCHEMBL8304286 0.75 PRMT5 (0.49) PRMT5WDR77MEN1KMT2ARAB9A
SCHEMBL6198595 0.75 CNR1 (0.48) MEN1KMT2AALDH1A1TSHRATM
SCHEMBL11895147 0.73 MTNR1A (0.44) ALDH1A1GAA
SCHEMBL8308856 0.73 CNR1 (0.46) MEN1KMT2AALDH1A1GAAPYGL
SCHEMBL8304191 0.73 CNR1 (0.46) MEN1KMT2AALDH1A1GAAPYGL
SCHEMBL24011024 0.72 CNR1 (0.50) PYGLCNR1
SCHEMBL11239859 0.70 ALDH1A1 (0.70) PRMT5WDR77MEN1KMT2ARAB9A
SCHEMBL3455875 0.70 ALDH1A1 (0.70) PRMT5WDR77MEN1KMT2ARAB9A
SCHEMBL2230467 0.70 HTR3A (0.64) MEN1KMT2A

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 3 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
US-5583221-A ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS, VIRICIDES, FUNGICIDES ELI LILLY AND COMPANY (US) 1996-12-10 US disclosed
WO-1995030640-A1 SUBSTITUTED FUSED AND BRIDGED BICYCLIC COMPOUNDS AS THERAPEUTIC AGENTS ELI LILLY AND COMPANY (US) 1995-11-16 WO disclosed