SCHEMBL9686999

SCHEMBL9686999

C=CC(c1ccccc1)C(CC)[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
GSR P00390 1/20 0.38
ALDH1A1 P00352 6/20 0.38
NPC1 O15118 2/20 0.38
KMT2A Q03164 4/20 0.36
CRHBP P24387 2/20 0.35
CRHR2 Q13324 2/20 0.35
MEN1 O00255 2/20 0.35
ATM Q13315 1/20 0.35
TLR9 Q9NR96 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 2/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADAM17 P78536 1/20 0.33
MIF P14174 1/20 0.33

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
SCHEMBL9685691 0.78 KMT2A (0.44) LMNAGSRALDH1A1NPC1KMT2A
SCHEMBL10393559 0.78 LMNA (0.47) LMNAGSRALDH1A1NPC1KMT2A
SCHEMBL11817354 0.78 NPC1 (0.41) LMNAGSRALDH1A1NPC1KMT2A
SCHEMBL11108771 0.73 GSR (0.40) LMNAGSRALDH1A1NPC1KMT2A
SCHEMBL3388678 0.72 LMNA (0.46) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL1507251 0.72 LMNA (0.46) LMNAALDH1A1KMT2AMEN1CYP2C19
SCHEMBL2319965 0.71 LMNA (0.43) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL19292352 0.70 LMNA (0.48) LMNAALDH1A1MAPTCYP2C19
SCHEMBL266714 0.70 LMNA (0.43) LMNAGSRALDH1A1NPC1KMT2A
SCHEMBL7137546 0.70 LMNA (0.38) LMNAGSRALDH1A1NPC1KMT2A

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
US-5147952-A PROCESS FOR PRODUCING MACROMOLECULAR MONOMER TOAGOSEI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-09-15 US disclosed