SCHEMBL4920317

SCHEMBL4920317

COC(=O)CN(CCCCC(=O)NC(CO)CO)CC(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 6/20 0.39
▸ CNR1 P21554 3/20 0.39
▸ CERT1 Q9Y5P4 3/20 0.39
▸ RECQL P46063 1/20 0.39
▸ KMT2A Q03164 2/20 0.37
▸ DNM1 Q05193 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ PLA2G2C Q5R387 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
SCHEMBL21788017 0.76 DNM1 (0.48) CNR2CNR1CERT1KMT2ADNM1
SCHEMBL29893217 0.71 DNM1 (0.65) CNR2CNR1CERT1KMT2ADNM1
SCHEMBL17256371 0.70 KMT2A (0.65) CERT1KMT2ADNM1L3MBTL1POLB
SCHEMBL338996 0.70 TSHR (0.48) RECQLKMT2A
SCHEMBL23799220 0.70 DNM1 (0.68) CNR2CNR1CERT1KMT2ADNM1
SCHEMBL679967 0.70 DNM1 (0.68) CNR2CNR1CERT1KMT2ADNM1
SCHEMBL8337930 0.70 KDM5A (0.47) DNM1POLB
SCHEMBL63203 0.70 KDM5A (0.47) DNM1POLB
SCHEMBL14159281 0.70 DNM1 (0.68) CNR2CNR1CERT1KMT2ADNM1
SCHEMBL3243330 0.70 DNM1 (0.68) CNR2CNR1CERT1KMT2ADNM1

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-20080269065-A1 Conformationally Constrained Analytical Probes SYNTRIX BIOSYSTEMS, INC. (US) 2008-10-30 — — US disclosed
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