SCHEMBL6437625

SCHEMBL6437625

CC(C)OC(=O)C1C(C(=O)O)C1(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
HCAR2 Q8TDS4 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
USP2 O75604 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7635976 0.78 TSHR (0.44) TSHRHCAR2POLBLMNAKDM4E
SCHEMBL6662594 0.78 APLNR (0.32) KDM4ECYP1A2CYP2D6MAPTCASP1
SCHEMBL3385056 0.76 APLNR (0.41) TSHRKDM4EALDH1A1HSD17B10MEN1
SCHEMBL11260869 0.76 APLNR (0.41) TSHRKDM4EALDH1A1HSD17B10MEN1
SCHEMBL5246594 0.76 APLNR (0.41) TSHRKDM4EALDH1A1HSD17B10MEN1
SCHEMBL1073406 0.76 TSHR (0.34) TSHR
SCHEMBL10329694 0.76 PPM1B (0.35) TSHRPOLBLMNAALDH1A1HSD17B10
SCHEMBL10692865 0.76 PPM1B (0.35) TSHRPOLBLMNAALDH1A1HSD17B10
SCHEMBL1261691 0.76 PPM1B (0.35) TSHRPOLBLMNAALDH1A1HSD17B10
SCHEMBL15178503 0.76 APLNR (0.31)

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
EP-1188735-B1 Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL CO (JP) 2005-07-27 EP disclosed
US-20040152592-A1 Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL COMPANY, LIMTED 2004-08-05 US disclosed
US-6703528-B2 CATALYTIC OXIDATION OF OLEFIN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-03-09 US disclosed
EP-1188735-A1 Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-20 EP disclosed
US-20020025906-A1 Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-28 US disclosed