SCHEMBL14529591

SCHEMBL14529591

O=C(O)[C@@H]1C2C=CC(CC2)[C@H]1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 1.00
TDP1 Q9NUW8 4/20 1.00
APEX1 P27695 1/20 1.00
CTDSP1 Q9GZU7 1/20 0.43
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GMNN O75496 1/20 0.42
PMP22 Q01453 1/20 0.42
TFPI2 P48307 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL16909847 1.00 POLB (1.00) POLBTDP1APEX1CTDSP1LMNA
SCHEMBL14529762 1.00 POLB (1.00) POLBTDP1APEX1CTDSP1LMNA
SCHEMBL14450728 1.00 POLB (1.00) POLBTDP1APEX1CTDSP1LMNA
SCHEMBL1005886 1.00 POLB (1.00) POLBTDP1APEX1CTDSP1LMNA
SCHEMBL14450705 1.00 POLB (1.00) POLBTDP1APEX1CTDSP1LMNA
SCHEMBL29867820 0.94 POLB (0.89) POLBTDP1APEX1CTDSP1LMNA
SCHEMBL18053331 0.90 POLB (0.81) POLBTDP1APEX1CTDSP1LMNA
SCHEMBL18053329 0.90 POLB (0.81) POLBTDP1APEX1CTDSP1LMNA
SCHEMBL819841 0.90 POLB (0.81) POLBTDP1APEX1CTDSP1LMNA
SCHEMBL20380880 0.90 POLB (0.81) POLBTDP1APEX1CTDSP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007060176-A1 PROCESS FOR PREPARING VINYL CARBOXYLATES BASF SE (DE) 2007-05-31 WO disclosed