SCHEMBL5869753

SCHEMBL5869753

CCCC(NC(CC(C)C)C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
FOLH1 Q04609 8/20 0.47
PLA2G2A P14555 2/20 0.46
PLA2G5 P39877 2/20 0.46
MAPT P10636 1/20 0.46
GRN P28799 1/20 0.42
SORT1 Q99523 1/20 0.42
CHRM1 P11229 1/20 0.41
AKR1A1 P14550 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL8255402 1.00 ALDH1A1 (0.52) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL5869797 0.89 PLA2G2A (0.51) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL8248644 0.89 PLA2G2A (0.51) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL10735795 0.87 CHRM1 (0.52) FOLH1MAPTCHRM1AKR1A1CHRM3
SCHEMBL5131686 0.81 CHRM1 (0.46) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL5131687 0.81 CHRM1 (0.46) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL16750050 0.81 CHRM1 (0.46) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL5870532 0.81 ALDH1A1 (0.48) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL5869722 0.79 FOLH1 (0.58) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL8248682 0.79 FOLH1 (0.58) ALDH1A1MEN1LMNAKMT2AFOLH1

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
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
US-6632830-B1 Blood pressure related disease or disorder, cell proliferation disorder, kidney disorder, kinetensin associated disorder, inflammation associated disorder, or an allergic disorder MILLENNIUM PHARMACEUTICALS, INC. 2003-10-14 US disclosed