SCHEMBL9680149

SCHEMBL9680149

CCN(CC)CCCNC(=O)c1ccccc1C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.61
HTT P42858 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
TSHR P16473 1/20 0.59
GAA P10253 1/20 0.57
METAP2 P50579 1/20 0.53
LMNA P02545 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
KMT2A Q03164 1/20 0.50
APEX1 P27695 1/20 0.50

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
SCHEMBL9091397 0.86 HTT (0.65) APPHTTALDH1A1HPGDTSHR
SCHEMBL9092335 0.86 HTT (0.65) APPHTTALDH1A1HPGDTSHR
SCHEMBL13162944 0.85 HPGD (0.61) APPHTTKDM4EALDH1A1HPGD
SCHEMBL8640837 0.85 NAAA (0.67) APPHTTKDM4EALDH1A1HPGD
SCHEMBL771444 0.85 HTT (0.59) APPHTTKDM4EALDH1A1HPGD
SCHEMBL9628332 0.83 NAAA (0.64) APPALDH1A1TSHRGAALMNA
SCHEMBL6273378 0.83 HTT (0.86) HTTHPGDTSHRLMNAKMT2A
Trolamine SCHEMBL9091920 0.82 HTT (0.60) APPHTTALDH1A1HPGDTSHR
SCHEMBL12964827 0.82 MT-CO2 (0.55) APPHTTKDM4EALDH1A1HPGD
Trolamine SCHEMBL8963359 0.82 HTT (0.60) APPHTTALDH1A1HPGDTSHR

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-0515140-A1 Amide esters of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1992-11-25 EP disclosed
US-5118677-A For treating transplant rejection, host vs. draft disease, autoimmune diseases and inflammations; antibody inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1992-06-02 US disclosed