SCHEMBL7734053

SCHEMBL7734053

CCCCCCNc1ccc(C(=O)OCC)c(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.54
EGFR P00533 1/20 0.44
LMNA P02545 4/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 4/20 0.43
BCL2L1 Q07817 1/20 0.43
MCL1 Q07820 1/20 0.43
ABL1 P00519 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PNLIP P16233 1/20 0.41
KMT2A Q03164 3/20 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
SCHEMBL7734774 0.95 PLK1 (0.54) PLK1EGFRLMNAALDH1A1CYP3A4
SCHEMBL11313529 0.93 PLK1 (0.48) PLK1EGFRLMNAALDH1A1CYP3A4
SCHEMBL11313614 0.93 PLK1 (0.48) PLK1EGFRLMNAALDH1A1CYP3A4
SCHEMBL11319758 0.93 PLK1 (0.48) PLK1EGFRLMNAALDH1A1CYP3A4
SCHEMBL11307809 0.93 PLK1 (0.48) PLK1EGFRLMNAALDH1A1CYP3A4
SCHEMBL11306884 0.93 PLK1 (0.48) PLK1EGFRLMNAALDH1A1CYP3A4
SCHEMBL11313424 0.93 PLK1 (0.48) PLK1EGFRLMNAALDH1A1CYP3A4
SCHEMBL11315370 0.93 PLK1 (0.48) PLK1EGFRLMNAALDH1A1CYP3A4
SCHEMBL11318044 0.93 PLK1 (0.48) PLK1EGFRLMNAALDH1A1CYP3A4
SCHEMBL11307880 0.93 PLK1 (0.48) PLK1EGFRLMNAALDH1A1CYP3A4

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
US-6399318-B1 ANTIGEN WHICH IS CONJUGATE OF CARRIER PROTEIN AND PHTHALIC ACID ESTER OF DEFINED STRUCTURE; FOR DETECTION AND MEASUREMENT OF PLASTICIZERS IN ENVIRONMENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-06-04 US disclosed