SCHEMBL8036817

SCHEMBL8036817

C=CC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCC(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ABCB1 P08183 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
USP2 O75604 1/20 0.36
TK1 P04183 2/20 0.35
PPID Q08752 1/20 0.35
NLRP3 Q96P20 1/20 0.35
HSD11B1 P28845 1/20 0.35
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL2619884 1.00 SMN1; SMN2 (0.38) SMN1; SMN2POLBALDH1A1TSHRMEN1
SCHEMBL18011761 0.85 NPSR1 (0.36) POLBALDH1A1TSHRTK1LMNA
SCHEMBL11296399 0.85 NPSR1 (0.36) POLBALDH1A1TSHRTK1LMNA
SCHEMBL2932652 0.84 TSHR (0.36) POLBALDH1A1TSHRMEN1KMT2A
SCHEMBL20875702 0.84 TSHR (0.36) POLBALDH1A1TSHRMEN1KMT2A
SCHEMBL3078236 0.78 SMN1; SMN2 (0.49) SMN1; SMN2POLBALDH1A1TSHRMEN1
SCHEMBL4535689 0.77 SMN1; SMN2 (0.41) SMN1; SMN2POLBALDH1A1TSHRMEN1
SCHEMBL21764294 0.76 PTPN1 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL11027048 0.76 PTPN1 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL20096959 0.76 TK1 (0.33) POLBMEN1KMT2AABCB1TK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009091016-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-07-23 WO disclosed