SCHEMBL7323017

SCHEMBL7323017

O=C(OCCN1CCOCC1)c1cc(OCCN2CCOCC2)cc(OCCN2CCOCC2)c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 1/20 0.58
GAA P10253 3/20 0.56
PKM P14618 1/20 0.53
LMNA P02545 2/20 0.52
KMT2A Q03164 1/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL15720845 0.84 ALDH1A1 (0.59) SMN1; SMN2KDM4EALDH1A1GAATP53
SCHEMBL9080270 0.81 GAA (0.51) SMN1; SMN2KDM4EALDH1A1HPGDGAA
SCHEMBL16533945 0.81 SYK (0.53) SMN1; SMN2L3MBTL1KDM4EALDH1A1GAA
SCHEMBL15517531 0.80 EPHX2 (0.53) SMN1; SMN2KDM4EALDH1A1GAATP53
SCHEMBL15720776 0.80 ALDH1A1 (0.60) SMN1; SMN2KDM4EALDH1A1GAATP53
SCHEMBL15517496 0.80 EPHX2 (0.53) SMN1; SMN2KDM4EALDH1A1GAATP53
SCHEMBL16533977 0.80 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1GAALMNA
SCHEMBL1417060 0.79 L3MBTL1 (0.66) SMN1; SMN2L3MBTL1KDM4EALDH1A1GAA
SCHEMBL501720 0.78 ATM (0.76) ATMSMN1; SMN2L3MBTL1KDM4EALDH1A1
SCHEMBL16533854 0.78 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EALDH1A1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958929-A CONGESTIVE HEART FAILURE; HYPOTENSIVE AGENTS SANOFI (FR) 1999-09-28 US disclosed
US-5736548-A CYCLIC GUANOSINE 3*,5*-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS; TREATING HEART FAILURE, HYPERTENSION SANOFI (FR) 1998-04-07 US disclosed
WO-1996028448-A1 6-ARYL PYRAZOLO[3,4-d]PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP, INC. (US) 1996-09-19 WO disclosed