SCHEMBL9028232

SCHEMBL9028232

COc1ccc(C(=O)N2CC(O)CC2CC(=O)CCCCCCCCCCCCCCN2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.43
MGLL Q99685 1/20 0.41
SLC9A1 P19634 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CPT1B Q92523 1/20 0.40

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
SCHEMBL9310196 0.79 ALDH1A1 (0.53) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL9027990 0.79 ALDH1A1 (0.53) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL9028887 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL9452813 0.71 MEN1 (0.61) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL9307946 0.70 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL9309115 0.70 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL9028587 0.68 KDM4E (0.49) ALDH1A1KDM4EMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL6774183 0.66 MEN1 (0.62) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL28298203 0.65 CHRM2 (0.79) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL11401365 0.65 ALDH1A1 (0.63) ALDH1A1KDM4EMEN1KMT2ALMNA

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-0486386-B1 Novel derivatives of N-benzoylproline, process for their preparation and drugs containing them ADIR (FR) 1996-07-17 EP claimed
EP-0486386-A2 Novel derivatives of N-benzoylproline, process for their preparation and drugs containing them ADIR ET COMPAGNIE (FR) 1992-05-20 EP claimed