SCHEMBL9416802

SCHEMBL9416802

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 2/20 0.39
EPHX1 P07099 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
EPHX2 P34913 2/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL9416729 0.89 MAPT (0.38) MAPTNPSR1EPHX1SMN1; SMN2NPC1
SCHEMBL9547514 0.87 GAA (0.36) MAPTNPSR1EPHX1EPHX2
SCHEMBL31547413 0.80 LMNA (0.38) MAPTNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL31547416 0.80 LMNA (0.38) MAPTNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL3118786 0.71 MAPT (0.38) MAPTNPSR1EPHX1CYP4F2CYP4A11
SCHEMBL14260950 0.71 MAPT (0.41) MAPTNPSR1EPHX1CYP4F2CYP4A11
SCHEMBL31547410 0.70 CHRM2 (0.33) ALDH1A1
SCHEMBL31547407 0.70
SCHEMBL17929003 0.70 MAPT (0.37) MAPTNPSR1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL5683465 0.70 MAPT (0.44) MAPTNPSR1EPHX1CYP4F2CYP4A11

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 5 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
EP-0278914-B1 PROCESS FOR THE PREPARATION OF TERT.-ALKYL ESTERS OF SUCCINIC ACID CIBA-GEIGY AG (CH) 1993-09-22 EP disclosed
US-5123951-A Ethylene response inducing agent and malonic acid derivative RHONE-POULENC NEDERLAND B.V. (NL) 1992-06-23 US disclosed
US-4904814-A CATALYTIC TRANSESTERIFICATION OF METHYL OR ETHYL ESTERS WITH TERTIARY ALCOHOL CIBA-GEIGY CORPORATION (US) 1990-02-27 US disclosed
EP-0278914-A2 Process for the preparation of tert.-alkyl esters of succinic acid CIBA-GEIGY AG (CH) 1988-08-17 EP disclosed