SCHEMBL1504652

SCHEMBL1504652

CC(NC(=O)c1ccc(O)cc1)C(C(=O)O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.54
HDAC1 Q13547 3/20 0.54
KCNH2 Q12809 2/20 0.52
TSHR P16473 1/20 0.49
CHRM4 P08173 1/20 0.47
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MCHR1 Q99705 1/20 0.47
POLB P06746 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL1505082 0.86 HDAC4 (0.53) HDAC4HDAC1KCNH2TSHRCHRM4
SCHEMBL1503521 0.81 ALDH1A1 (0.47) TSHRPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL1504682 0.78 ADAM17 (0.41) CA2POLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL1504753 0.78 POLB (0.47) HDAC4HDAC1TSHRPOLBRAB9A
SCHEMBL10276681 0.77 CHRM4 (0.54) HDAC4HDAC1KCNH2CHRM4CA12
SCHEMBL10276683 0.77 CHRM4 (0.54) HDAC4HDAC1KCNH2CHRM4CA12
SCHEMBL1504817 0.76 ALDH1A1 (0.44) TSHRCA12CA2CA9SMN1; SMN2
Hydrochloric Acid SCHEMBL1504615 0.74 ATM (0.55) HDAC4HDAC1POLBRAB9ASMN1; SMN2
SCHEMBL10476107 0.74 CHRM4 (0.53) HDAC4HDAC1KCNH2CHRM4CA12
SCHEMBL1221259 0.71 ALDH1A1 (0.56) HDAC4HDAC1KCNH2MCHR1POLB

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
WO-2011033009-A1 N- [2-HYDROXYCARBAMOYL-2- (PIPERAZINYL) ETHYL] BENZAMIDE COMPOUNDS, THEIR PREPARATION AND THEIR USE AS TACE INHIBITORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-03-24 WO disclosed