SCHEMBL11569134

SCHEMBL11569134

COc1cccc(CCc2ccccc2)c1OCCCCN1CCC(C(=O)O)CC1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.63
▸ KDM4E B2RXH2 2/20 0.63
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ SIGMAR1 Q99720 2/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ SCN9A Q15858 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ ABCB1 P08183 2/20 0.49

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
SCHEMBL11249588 0.90 KDM4E (0.52) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL11269080 0.87 MEN1 (0.56) ALDH1A1KDM4EMEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL11260354 0.86 MEN1 (0.55) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL11257645 0.82 ABCB1 (0.56) ALDH1A1KDM4EMEN1KMT2AABCB1
SCHEMBL11251375 0.81 ABCB1 (0.54) ALDH1A1KDM4EMEN1KMT2AABCB1
SCHEMBL11258966 0.81 KDM4E (0.56) KDM4EMEN1KMT2ACYP1A2CYP2D6
SCHEMBL11260526 0.80 KDM4E (0.50) ALDH1A1KDM4EMEN1KMT2AABCB1
SCHEMBL11249075 0.80 LTA4H (0.62) ALDH1A1KDM4EMEN1KMT2AABCB1
SCHEMBL11256903 0.80 ABCB1 (0.60) KDM4EMEN1KMT2AABCB1
SCHEMBL11256314 0.80 ABCB1 (0.54) KDM4EMEN1KMT2ACYP1A2CYP2D6

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
EP-0001759-A1 (Omega-aminoalkoxy) bibenzyls, processes for their preparation and pharmaceutical compositions containing these substances MITSUBISHI KASEI CORPORATION (JP) 1979-05-16 — — EP disclosed
Send feedback