SCHEMBL9532715

SCHEMBL9532715

CC1(C)OC(=O)C(=C(O)CC2CCCC2)C(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.47
CDC25B P30305 5/20 0.47
ACP1 P24666 4/20 0.47
EPHX2 P34913 2/20 0.34
LMNA P02545 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
CRHBP P24387 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
CRHR2 Q13324 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 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
SCHEMBL15798299 0.98 PTPN1 (0.46) PTPN1CDC25BACP1EPHX2LMNA
SCHEMBL21810871 0.93 PTPN1 (0.50) PTPN1CDC25BACP1LMNAHSD17B10
SCHEMBL15811725 0.87 PTPN1 (0.45) PTPN1CDC25BACP1
SCHEMBL1549875 0.75 PTPN1 (0.41) PTPN1CDC25BACP1LMNAHSD17B10
SCHEMBL9190067 0.72 PTPN1 (0.46) PTPN1CDC25BACP1LMNAHSD17B10
SCHEMBL1356857 0.72 PTPN1 (0.62) PTPN1CDC25BACP1LMNAHSD17B10
SCHEMBL17748526 0.71 PTPN1 (0.56) PTPN1CDC25BACP1LMNARAB9A
SCHEMBL20351495 0.71 PTPN1 (0.56) PTPN1CDC25BACP1LMNARAB9A
SCHEMBL14194487 0.71 PTPN1 (0.57) PTPN1CDC25BACP1LMNAHSD17B10
SCHEMBL7114676 0.69 PTPN1 (0.74) PTPN1CDC25BACP1LMNAL3MBTL1

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
EP-0539372-A1 THERAPEUTIC AGENTS The Boots Company PLC (GB) 1993-05-05 EP disclosed
WO-1991011448-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1991-08-08 WO disclosed