SCHEMBL8700502

SCHEMBL8700502

COC(=O)CCC(CCc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
SLC1A1 P43005 1/20 0.50
CPA3 P15088 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.46
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
FOLH1 Q04609 1/20 0.45
CYP1A2 P05177 1/20 0.44

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
SCHEMBL1915237 0.86 CPA3 (0.68) SLC1A1CPA3FOLH1CYP1A2
SCHEMBL1915234 0.86 CPA3 (0.68) SLC1A1CPA3FOLH1CYP1A2
SCHEMBL1915616 0.86 CPA3 (0.68) SLC1A1CPA3FOLH1CYP1A2
SCHEMBL7435853 0.84 SLC1A1 (0.48) CA12CA7CA9CA14SLC1A1
SCHEMBL1857365 0.83 CYP1A2 (0.61) CPA3FOLH1CYP1A2
SCHEMBL5934204 0.83 CA12 (0.52) CA12CA7CA9CA14KDM4E
SCHEMBL7435848 0.82 CYP2D6 (0.51) CA12CA7CA9CA14KDM4E
SCHEMBL7350860 0.82 CPA3 (0.71) CPA3MMP3FOLH1CYP1A2
Water SCHEMBL4010621 0.81 CYP1A2 (0.59) CPA3FOLH1CYP1A2
SCHEMBL8144342 0.81 CYP4F2 (0.62) ALDH1A1LMNATSHR

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-5827868-A Prostaglandin analogs E. R. SQUIBB & SONS, INC. (US) 1998-10-27 US disclosed