SCHEMBL6301892

SCHEMBL6301892

COc1ccc([CH]C2CCCO2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
CHRNA7 P36544 1/20 0.42
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.40
CYP2A6 P11509 1/20 0.40
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL28926394 0.84 KDM4E (0.46) HPGDALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL4494269 0.80 ALDH1A1 (0.47) HPGDCHRNA7ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6847297 0.77 ALDH1A1 (0.34) HPGDALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL6847217 0.77 KMT2A (0.40) HPGDALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL11572426 0.77 ALDH1A1 (0.42) HPGDCHRNA7ALDH1A1SMN1; SMN2KDM4E
SCHEMBL27480933 0.73 LOXL2 (0.36)
SCHEMBL8055688 0.72 ALDH1A1 (0.50) HPGDCHRNA7ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6308505 0.71 HPGD (0.49) HPGDALDH1A1KDM4EMAPK1LMNA
SCHEMBL27761337 0.70 KCNH2 (0.51) HPGDALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL28926381 0.70 CYP19A1 (0.49) HPGDALDH1A1KDM4EMAPK1MAPT

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-6967205-B1 Compounds with antibacterial and antiparasitic properties NEW PHARMA RESEARCH SWEDEN AB (SE) 2005-11-22 US disclosed