SCHEMBL9416729

SCHEMBL9416729

COC(=O)C1(C(=O)O)C2CCCCC21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 2/20 0.35
EPHX1 P07099 2/20 0.32
ACE P12821 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
POLB P06746 1/20 0.30
LMNA P02545 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
EPHX2 P34913 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL9416802 0.89 MAPT (0.41) MAPTNPSR1EPHX1SMN1; SMN2NPC1
SCHEMBL9547514 0.77 GAA (0.36) MAPTNPSR1EPHX1MEN1KMT2A
SCHEMBL22640750 0.77 CES2 (0.39) MAPTEPHX1SMN1; SMN2NPC1RAB9A
SCHEMBL30706764 0.73 HTT (0.32) MAPTNPSR1SMN1; SMN2
SCHEMBL31547413 0.71 LMNA (0.38) MAPTNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL28786480 0.71 HSD11B1 (0.37) EPHX1
SCHEMBL31547416 0.71 LMNA (0.38) MAPTNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL28786461 0.71 HSD11B1 (0.37) EPHX1
SCHEMBL3118786 0.67 MAPT (0.38) MAPTNPSR1EPHX1CYP4F2CYP4A11
SCHEMBL14260950 0.67 MAPT (0.41) MAPTNPSR1EPHX1MEN1KMT2A

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-5292937-A Use of malonic acid derivative compounds for retarding plant growth RHONE-POULENC INC. (US) 1994-03-08 US disclosed
US-5123951-A Ethylene response inducing agent and malonic acid derivative RHONE-POULENC NEDERLAND B.V. (NL) 1992-06-23 US disclosed