SCHEMBL6273467

SCHEMBL6273467

C=C(C(=O)O)C(C=C(C)C(=O)O)CCN(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
PMP22 Q01453 2/20 0.33
BLM P54132 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
UTS2R Q9UKP6 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL693962 0.81
SCHEMBL2402405 0.81
SCHEMBL14992899 0.81
SCHEMBL11835021 0.80 LMNA (0.36) LMNAPMP22BLMNPSR1UTS2R
Acrylic Acid SCHEMBL10765500 0.79 ALOX15 (0.30)
SCHEMBL2787511 0.78 ACHE (0.37) TSHR
SCHEMBL6550562 0.77
SCHEMBL7262843 0.76 DNM1 (0.37) ALDH1A1TSHR
SCHEMBL7549880 0.75 LCK (0.43)
SCHEMBL27690784 0.75 UTS2R (0.31) LMNAPMP22BLMNPSR1UTS2R

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-2005117896-A1 FORMULATIONS CONTAINING FASUDIL, A MATRIX AND AN ENVELOPE SCHERING AKTIENGESELLSCHAFT (DE) 2005-12-15 WO disclosed