SCHEMBL9235342

SCHEMBL9235342

C=CC(OCCCCC)O[PH2]=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.35
ALDH1A1 P00352 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
TSHR P16473 3/20 0.32
HPGD P15428 1/20 0.32
LPAR1 Q92633 2/20 0.31
LPAR3 Q9UBY5 2/20 0.31
PLA2G2C Q5R387 1/20 0.30

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
SCHEMBL11010126 0.81 DNM1 (0.47) DNM1ALDH1A1CNR1CNR2TSHR
SCHEMBL2398433 0.79 DNM1 (0.41) DNM1ALDH1A1CNR1CNR2TSHR
SCHEMBL1818543 0.77 DNM1 (0.44) DNM1ALDH1A1CNR1CNR2TSHR
SCHEMBL4510013 0.76 DNM1 (0.36) DNM1ALDH1A1CNR1CNR2TSHR
SCHEMBL6752694 0.76 TSHR (0.40) DNM1ALDH1A1CNR1CNR2TSHR
SCHEMBL15384183 0.76 DNM1 (0.42) DNM1ALDH1A1CNR1CNR2TSHR
SCHEMBL6273275 0.76 DNM1 (0.42) DNM1ALDH1A1CNR1CNR2TSHR
SCHEMBL4510009 0.75 DNM1 (0.35) DNM1ALDH1A1CNR1CNR2TSHR
SCHEMBL9480754 0.74 TSHR (0.40) DNM1ALDH1A1CNR1CNR2TSHR
SCHEMBL278531 0.72 TSHR (0.37) DNM1ALDH1A1CNR1CNR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0719273-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1996-07-03 EP disclosed
WO-1995007920-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1995-03-23 WO disclosed