SCHEMBL9865376

SCHEMBL9865376

[O]COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.56
DUT P33316 2/20 0.40
TK1 P04183 3/20 0.39
HRH4 Q9H3N8 1/20 0.39
TK2 O00142 5/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 3/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC6A1 P30531 1/20 0.36
CES1 P23141 1/20 0.36
KCNN4 O15554 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL11275984 0.79 KIF11 (0.74) KIF11DUTTK1HRH4TK2
SCHEMBL15642136 0.76 KIF11 (0.63) KIF11DUTTK1HRH4TK2
SCHEMBL9039609 0.76 KIF11 (0.57) KIF11DUTTK1HRH4TK2
SCHEMBL13092422 0.75 KIF11 (0.68) KIF11DUTHRH4MAPK1TSHR
SCHEMBL6241174 0.75 KIF11 (0.56) KIF11DUTHRH4MAPK1TSHR
SCHEMBL2350021 0.75 KIF11 (0.56) KIF11DUTTK1TK2MAPK1
SCHEMBL1525646 0.75 KIF11 (0.56) KIF11DUTTK1HRH4TK2
SCHEMBL28093026 0.75 KIF11 (0.56) KIF11DUTTK1HRH4TK2
SCHEMBL5735020 0.75 KIF11 (0.56) KIF11DUTTK1HRH4TK2
SCHEMBL40498 0.75 KIF11 (0.50) KIF11TSHRALOX15CYP2C19SLC6A1

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-5011938-A Antimicrobials ELI LILLY AND COMPANY (US) 1991-04-30 US disclosed
US-4940718-A BACTERICIDES ELI LILLY AND COMPANY (US) 1990-07-10 US disclosed
EP-0202046-A1 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-20 EP disclosed
US-4172839-A PROSTAGLANDINS AMERICAN CYANAMID COMPANY (US) 1979-10-30 US disclosed