SCHEMBL7601876

SCHEMBL7601876

CC1=Cc2ccccc2C1[Zr].CCN(CC)C(=O)O.CCN(CC)C(=O)O.CCN(CC)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
PTBP1 P26599 1/20 0.37
P2RX1 P51575 1/20 0.37
P2RX3 P56373 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
P2RX4 Q99571 1/20 0.37
P2RX7 Q99572 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL813995 0.79 LMNA (0.33) LMNATSHRSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL812103 0.77 LMNA (0.32) LMNAMEN1KMT2ATSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL28723724 0.77 LMNA (0.32) LMNAMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL6531822 0.77 LMNA (0.41) LMNAMEN1USP2KMT2ATSHR
Chloromethane SCHEMBL8149605 0.75 LMNA (0.31) LMNATSHR
Toluene SCHEMBL11219140 0.75 LMNA (0.55) LMNAMEN1KMT2ATSHRMAPK1
SCHEMBL27473046 0.73 CYP19A1 (0.32)
SCHEMBL7860806 0.73 ALDH1A1 (0.33) LMNASMN1; SMN2ALDH1A1
SCHEMBL652421 0.72 MEN1 (0.39) LMNAMEN1USP2KMT2ATSHR
Tromethamine SCHEMBL21114995 0.71 KDM4E (0.33) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1

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
EP-0961784-B1 IMPROVED CONTROL OF SOLUTION CATALYST DROPLET SIZE WITH AN EFFERVESCENT SPRAY NOZZLE UNION CARBIDE CHEM PLASTIC (US) 2002-10-23 EP claimed