SCHEMBL8339652

SCHEMBL8339652

COC(=O)c1ccc(OC2CCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.60
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
EPHX2 P34913 6/20 0.55
FAAH O00519 1/20 0.53
MAPT P10636 2/20 0.51
NPC1 O15118 2/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.51
RAB9A P51151 1/20 0.51
SCN1A P35498 1/20 0.50
SCN2A Q99250 1/20 0.50
SCN3A Q9NY46 1/20 0.50

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
SCHEMBL7326433 0.98 PARP10 (0.58) PARP10CA1CA2EPHX2FAAH
SCHEMBL15830297 0.98 PARP10 (0.58) PARP10CA1CA2EPHX2FAAH
SCHEMBL7317661 0.94 PARP10 (0.54) PARP10CA1CA2EPHX2FAAH
SCHEMBL16147114 0.93 EPHX2 (0.61) PARP10CA1CA2EPHX2FAAH
SCHEMBL13266896 0.88 EPHX2 (0.57) PARP10CA1CA2EPHX2FAAH
SCHEMBL7659739 0.85 EPHX2 (0.52) PARP10CA1CA2EPHX2FAAH
SCHEMBL239876 0.85 HRH1 (0.53) PARP10CA1CA2EPHX2FAAH
SCHEMBL31114566 0.85 EPHX2 (0.55) PARP10CA1CA2EPHX2FAAH
SCHEMBL1707168 0.85 MEN1 (0.54) PARP10CA1CA2EPHX2FAAH
SCHEMBL3023506 0.84 ACACB (0.58) PARP10CA1CA2EPHX2FAAH

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
US-5908859-A ESPECIALLY HYPERCHOLESTEROLEMIA ELI LILLY AND COMPANY (US) 1999-06-01 US disclosed
EP-0897918-A1 Benzothiophene derivatives and their use as pharmaceutically active agents ELI LILLY AND COMPANY (US) 1999-02-24 EP disclosed
WO-1999007694-A1 COMPOUNDS AND USES THEREOF ELI LILLY AND COMPANY (US) 1999-02-18 WO disclosed
US-4075227-A NONSTEROIDAL ELI LILLY AND COMPANY (US) 1978-02-21 US disclosed