SCHEMBL9702992

SCHEMBL9702992

CCCCN(CCO)[C@@](CCCC)(CC(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.32
BLM P54132 1/20 0.32
HSPE1 P61604 1/20 0.32
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ARG1 P05089 1/20 0.30
ARG2 P78540 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL27921659 0.83 CA12 (0.38) FFAR1TDP1CA12CA1CA9
SCHEMBL2924070 0.80 LMNA (0.31)
SCHEMBL1071826 0.79
SCHEMBL8581959 0.79 KDM5A (0.35) HSPD1BLMHSPE1FFAR1CPT2
SCHEMBL5601823 0.78 HSPD1 (0.42) HSPD1BLMHSPE1FFAR1TDP1
SCHEMBL11733606 0.78 DNM1 (0.43) HSPD1BLMHSPE1FFAR1CPT2
SCHEMBL5157779 0.74 CYP2D6 (0.39) HSPD1BLMHSPE1FFAR1CPT2
SCHEMBL19032579 0.74 KDM5A (0.37) ARG1ARG2
SCHEMBL6569057 0.73
SCHEMBL9660665 0.70 KDM5A (0.41) TDP1CA12CA1CA9

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
US-5084523-A Blends with polyamides and aspartic acid as molding materials with heat resistance and solvent resistance HUELS AKTIENGESELLSCHAFT (DE) 1992-01-28 US disclosed