SCHEMBL8954745

SCHEMBL8954745

C[C@@H]1[C@@H](C(=O)O)[C@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.53
TDP1 Q9NUW8 3/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
GRM2 Q14416 5/20 0.46
GRM3 Q14832 4/20 0.46
PPP5C P53041 1/20 0.37
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
APEX1 P27695 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GMNN O75496 1/20 0.36
PMP22 Q01453 1/20 0.36
TFPI2 P48307 1/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL2967009 1.00 POLB (0.53) POLBTDP1CTDSP1GRM2GRM3
SCHEMBL11049187 1.00 POLB (0.53) POLBTDP1CTDSP1GRM2GRM3
SCHEMBL26342164 1.00 POLB (0.53) POLBTDP1CTDSP1GRM2GRM3
SCHEMBL8954735 1.00 POLB (0.53) POLBTDP1CTDSP1GRM2GRM3
SCHEMBL2967012 1.00 POLB (0.53) POLBTDP1CTDSP1GRM2GRM3
SCHEMBL15514425 0.96 POLB (0.50) POLBTDP1CTDSP1GRM2GRM3
SCHEMBL15182531 0.96 POLB (0.50) POLBTDP1CTDSP1GRM2GRM3
SCHEMBL6031523 0.92 POLB (0.53) POLBTDP1CTDSP1GRM2GRM3
SCHEMBL992359 0.92 POLB (0.53) POLBTDP1CTDSP1GRM2GRM3
SCHEMBL12763432 0.89 POLB (0.50) POLBTDP1CTDSP1GRM2GRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0535448-B1 Process and intermediates for the preparation of an antiviral agent containing a cyclobutyl group SQUIBB & SONS INC (US) 1996-06-26 EP disclosed
US-5525726-A Process for the preparation of an antiviral agent E. R. SQUIBB & SONS, INC. (US) 1996-06-11 US disclosed
US-5237095-A Process for the preparation of an antiviral agent E. R. SQUIBB & SONS, INC. (US) 1993-08-17 US disclosed
US-5237096-A Process for the preparation of an antiviral agent E. R. SQUIBB & SONS, INC. (US) 1993-08-17 US disclosed
US-5233086-A Intermediates for the preparation of an antiviral agent E. R. SQUIBB & SONS, INC. (US) 1993-08-03 US disclosed
US-5218142-A Process for the preparation of an antiviral agent E. R. SQUIBB & SONS, INC. (US) 1993-06-08 US disclosed
EP-0535448-A2 Process and intermediates for the preparation of an antiviral agent containing a cyclobutyl group E.R. SQUIBB & SONS, INC. (US) 1993-04-07 EP disclosed
US-5185463-A PROCESS FOR THE PREPARATION OF AN ANTIVIRAL AGENT E. R. SQUIBB & SONS, INC. (US) 1993-02-09 US disclosed