SCHEMBL5198356

SCHEMBL5198356

CCC(NC1CCCc2ccccc21)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
HTT P42858 3/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
TAS1R2 Q8TE23 1/20 0.50
TAOK1 Q7L7X3 1/20 0.49
TAOK3 Q9H2K8 1/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 1/20 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
SCHEMBL5322318 0.90 ALDH1A1 (0.58) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL6678912 0.82 HTT (0.58) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL6678910 0.82 HTT (0.58) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL5680449 0.81 HTT (0.53) ALDH1A1HTTMEN1KMT2ATAS1R3
SCHEMBL27562830 0.80 ALDH1A1 (0.70) ALDH1A1HTTMEN1KMT2AUSP2
SCHEMBL5653436 0.79 ALDH1A1 (0.64) ALDH1A1HTTMEN1KMT2AUSP2
SCHEMBL5653425 0.79 ALDH1A1 (0.64) ALDH1A1HTTMEN1KMT2AUSP2
SCHEMBL14335070 0.77 HTT (0.63) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL10159937 0.77 PDPK1 (0.53) ALDH1A1HTTMEN1KMT2AUSP2
SCHEMBL13164295 0.77 PDPK1 (0.53) ALDH1A1HTTMEN1KMT2AUSP2

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-1799637-A1 SUBSTITUTED SULFONAMIDOPROPIONAMIDES AND METHODS OF USE Amgen, Inc (US) 2007-06-27 EP claimed
WO-2006036664-A1 SUBSTITUTED SULFONAMIDOPROPIONAMIDES AND METHODS OF USE AMGEN INC. (US) 2006-04-06 WO claimed