SCHEMBL7794665

SCHEMBL7794665

COc1ccc(OCCCC2CCCNC2)c2c1-c1c(OCCCC3CCCNC3)cccc1C2=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 7/20 0.43
ROCK2 O75116 3/20 0.42
PKN2 Q16513 1/20 0.41
NPY1R P25929 7/20 0.41
EED O75530 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
DUSP3 P51452 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 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
SCHEMBL7792629 0.95 ACP1 (0.45) ACP1ROCK2PKN2NPY1REED
SCHEMBL7792232 0.94 MEN1 (0.42) ACP1ROCK2NPY1RKDM4EMEN1
SCHEMBL7792560 0.92 NPY1R (0.43) ACP1NPY1R
SCHEMBL7792794 0.92 NPY1R (0.41) ACP1NPY1RKMT2A
SCHEMBL7792350 0.92 HTR2A (0.44) ACP1NPY1RKMT2A
SCHEMBL7795703 0.88 ACP1 (0.40) ACP1ROCK2PKN2NPY1REED
SCHEMBL7786542 0.88 KCNA3 (0.44) ACP1NPY1RKMT2A
SCHEMBL7794760 0.86 ACP1 (0.42) ACP1ROCK2PKN2NPY1REED
SCHEMBL7786097 0.86 EED (0.44) ACP1ROCK2PKN2NPY1REED
SCHEMBL7792683 0.86 HTR2A (0.46) ACP1NPY1RKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906268-B1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS AVENTIS PHARMA INC (US) 2001-11-28 EP disclosed
US-6004959-A HYPOTENSIVE, ANTITUMOR, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS; ANGIOGENESIS AND ALVEOLAR MACROPHAGE ACTIVATION INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed