SCHEMBL8405607

SCHEMBL8405607

COC(=O)c1ccccc1CCCC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.67
ALDH1A1 P00352 2/20 0.67
HIF1A Q16665 1/20 0.49
SLC6A3 Q01959 2/20 0.49
HDAC3 O15379 1/20 0.49
MAPK1 P28482 1/20 0.49
ADRA1A P35348 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
DHODH Q02127 1/20 0.48
KDM4E B2RXH2 2/20 0.48

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
SCHEMBL6436959 0.94 LMNA (0.63) LMNAALDH1A1HIF1AHDAC1HDAC6
SCHEMBL2439695 0.90 ALDH1A1 (0.76) LMNAALDH1A1HIF1ASLC6A3KDM4E
SCHEMBL10411824 0.87 ALDH1A1 (0.67) LMNAALDH1A1HIF1ADHODHKDM4E
SCHEMBL10360804 0.84 ALDH1A1 (0.77) LMNAALDH1A1HIF1ASLC6A3KDM4E
SCHEMBL383349 0.83 ALDH1A1 (0.66) LMNAALDH1A1HIF1ASLC6A3DHODH
SCHEMBL1789262 0.83 ALDH1A1 (0.66) LMNAALDH1A1HIF1AMAPK1SMN1; SMN2
SCHEMBL5734169 0.82 ALDH1A1 (0.64) LMNAALDH1A1HIF1ADHODHKDM4E
SCHEMBL385826 0.82 ALDH1A1 (0.64) LMNAALDH1A1HIF1ASMN1; SMN2DHODH
SCHEMBL6621914 0.82 ALDH1A1 (0.64) LMNAALDH1A1HIF1ASLC6A3DHODH
SCHEMBL28106654 0.82 ALDH1A1 (0.64) LMNAALDH1A1MAPK1SMN1; SMN2DHODH

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-0927192-A1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1999-07-07 EP disclosed
WO-1998011128-A1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1998-03-19 WO disclosed