SCHEMBL6713545

SCHEMBL6713545

NC1(C(=O)O)CC=CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.39
GRM4 Q14833 9/20 0.37
CYP1A2 P05177 4/20 0.37
CYP2C19 P33261 3/20 0.37
ALOX15 P16050 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
GRM8 O00222 2/20 0.37
GRM6 O15303 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GRM2 Q14416 4/20 0.36
GRM3 Q14832 4/20 0.36
LMNA P02545 1/20 0.36
GRM5 P41594 1/20 0.36
MTOR P42345 1/20 0.36
GRM1 Q13255 1/20 0.36

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
SCHEMBL20581197 1.00 NSD2 (0.39) NSD2GRM4CYP1A2CYP2C19ALOX15
SCHEMBL8584201 0.88 NSD2 (0.44) NSD2GRM4CYP1A2CYP2C19ALOX15
SCHEMBL2803757 0.83
Hydrochloric Acid SCHEMBL20565847 0.80 NSD2 (0.46) NSD2GRM4CYP1A2CYP2C19ALOX15
SCHEMBL22639459 0.80 NSD2 (0.38) NSD2GRM4CYP1A2CYP2C19ALOX15
SCHEMBL13977917 0.75 NPSR1 (0.33) LMNA
SCHEMBL2488949 0.71 FFAR3 (0.31)
SCHEMBL29031913 0.71 FFAR3 (0.31)
SCHEMBL28489123 0.71 FFAR3 (0.31)
SCHEMBL3147124 0.70

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-20230218710-A1 METHOD OF TREATING CORONAVIRUS INFECTIONS COHBAR, INC. 2023-07-13 US disclosed
WO-2021030469-A1 THERAPEUTIC MITOCHONDRIAL PEPTIDES COHBAR, INC. (US) 2021-02-18 WO disclosed
EP-1402024-A2 TEMPLATED MOLECULES AND METHODS FOR USING SUCH MOLECULES Nuevolution A/S (DK) 2004-03-31 EP disclosed
WO-2002103008-A2 TEMPLATED MOLECULES AND METHODS FOR USING SUCH MOLECULES NUEVOLUTION A/S (DK) 2002-12-27 WO disclosed