SCHEMBL11680313

SCHEMBL11680313

CCC(O)Cn1c(=O)n(CC(O)CC)c(=O)n(CC(O)COc2ccccc2)c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.58
MAPT P10636 3/20 0.58
RECQL P46063 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.54
TSHR P16473 2/20 0.53
KDM4E B2RXH2 3/20 0.52
CYP2D6 P10635 2/20 0.51
HIF1A Q16665 2/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SLC5A2 P31639 1/20 0.50
ALOX15 P16050 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL14064868 0.92 LMNA (0.67) LMNAMAPTRECQLL3MBTL1TSHR
SCHEMBL13096315 0.88 MAPK1 (0.61) LMNAMAPTCYP2D6CYP2C9CYP2C19
SCHEMBL11685551 0.88 LMNA (0.58) LMNAMAPTRECQLL3MBTL1TSHR
SCHEMBL11686021 0.88 LMNA (0.58) LMNAMAPTRECQLL3MBTL1TSHR
SCHEMBL14064866 0.88 LMNA (0.52) LMNAMAPTRECQLL3MBTL1TSHR
SCHEMBL19669063 0.84 PKM (0.59) LMNAMAPTRECQLL3MBTL1TSHR
SCHEMBL11678813 0.82 LMNA (0.58) LMNAMAPTRECQLL3MBTL1TSHR
SCHEMBL4367726 0.82 LMNA (0.56) LMNAMAPTRECQLL3MBTL1TSHR
SCHEMBL19558295 0.81 ALDH1A1 (0.54) LMNAMAPTRECQLTSHRKDM4E
SCHEMBL166337 0.81 LMNA (0.64) LMNAMAPTRECQLL3MBTL1TSHR

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-9214345-B2 Film-forming composition and ion implantation method NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-15 US disclosed
US-9214345-B2 Film-forming composition and ion implantation method NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-15 US disclosed
US-4048102-A CROSSLINKING, MENTHANEDIAMINE, ISOPHORONEDIAMINE THE DOW CHEMICAL COMPANY (US) 1977-09-13 US disclosed
US-4007139-A 2,4-DIKETO-1,3,5-HEXAHYDRO-TRIAZINE THE DOW CHEMICAL COMPANY (US) 1977-02-08 US disclosed