SCHEMBL7208166

SCHEMBL7208166

C=CC(C)(C)C(C(=O)O)C(=O)OCC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
PIN1 Q13526 1/20 0.32
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SOAT1 P35610 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
KMT2A Q03164 1/20 0.31
MMP8 P22894 1/20 0.31
PKM P14618 1/20 0.31
CPB2 Q96IY4 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL7207341 0.90 ALDH1A1 (0.37) HCAR2ALDH1A1HSD17B10LMNASMN1; SMN2
SCHEMBL9796908 0.85 ALDH1A1 (0.37) HCAR2ALDH1A1HSD17B10LMNASMN1; SMN2
SCHEMBL9796637 0.84 MGAM (0.34) ALDH1A1HSD17B10LMNASMN1; SMN2ALOX15
SCHEMBL9796655 0.81 SMN1; SMN2 (0.30) ALDH1A1SMN1; SMN2
SCHEMBL10961368 0.80 MAPT (0.35) MAPT
SCHEMBL10962327 0.80 ALDH1A1 (0.32) ALDH1A1LMNAMAPT
SCHEMBL10910007 0.78 MEN1 (0.47) ALDH1A1HSD17B10LMNASMN1; SMN2PIN1
SCHEMBL3212385 0.78 ALDH1A1 (0.40) HCAR2ALDH1A1HSD17B10LMNAPIN1
SCHEMBL9796662 0.77 MMP8 (0.36) HCAR2ALDH1A1HSD17B10LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL7344003 0.76 PIN1 (0.39) HCAR2ALDH1A1HSD17B10LMNAPIN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613934-B1 Enzymatic partial hydrolysis of a diester of malonic acid DEGUSSA AG (DE) 2003-09-02 US claimed
US-4599358-A Pyrethroids MONTEDISON, S.P.A. (IT) 1986-07-08 US disclosed
EP-0031041-B1 PYRETHROIDS AND THEIR PREPARATION, THEIR PESTICIDAL COMPOSITION; INTERMEDIATES AND THEIR PREPARATION Montedison S.p.A. (IT) 1985-02-13 EP disclosed
EP-0031041-A2 Pyrethroids and their preparation, their pesticidal composition; intermediates and their preparation Montedison S.p.A. (IT) 1981-07-01 EP disclosed