SCHEMBL14878552

SCHEMBL14878552

COC(=O)c1cccc(CNc2cc(Oc3ccccc3)ccc2C)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.54
▸ HDAC8 Q9BY41 2/20 0.53
▸ SENP1 Q9P0U3 1/20 0.50
▸ FFAR1 O14842 6/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ CETP P11597 1/20 0.48
▸ PPM1D O15297 2/20 0.47
▸ LOXL2 Q9Y4K0 1/20 0.47
▸ CYP4F2 P78329 1/20 0.46
▸ CYP4A11 Q02928 1/20 0.46
▸ GNA15 P30679 1/20 0.46
▸ PTGER3 P43115 1/20 0.46
▸ FFAR4 Q5NUL3 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL8005946 0.88 HIF1A (0.53) HIF1AHDAC8SENP1FFAR1CETP
SCHEMBL5179550 0.83 HIF1A (0.68) HIF1AHDAC8SENP1FFAR1HDAC6
SCHEMBL15761746 0.83 HIF1A (0.60) HIF1AHDAC8SENP1HDAC1HDAC6
SCHEMBL14878570 0.81 HDAC8 (0.53) HDAC8FFAR1HDAC1HDAC6TDP1
SCHEMBL25805521 0.78 DDR2 (0.58) HIF1AHDAC8HDAC1HDAC6PPM1D
SCHEMBL521860 0.77 AKR1C3 (0.68) HDAC8ALDH1A1SMN1; SMN2
SCHEMBL15761753 0.76 HIF1A (0.85) HIF1AHDAC8SENP1HDAC6LOXL2
SCHEMBL14420824 0.74 LOXL2 (0.58) HIF1ASENP1HDAC1PPM1DLOXL2
SCHEMBL15761754 0.74 HIF1A (0.58) HIF1AHDAC8SENP1HDAC1HDAC6
SCHEMBL15755934 0.74 HIF1A (0.58) HIF1AHDAC8SENP1HDAC1HDAC6

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-8426607-B2 Substituted amino-benzimidazoles, medicaments comprimising said compound, their use and their method of manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-23 — — US disclosed
Send feedback