SCHEMBL4485382

SCHEMBL4485382

CCOC(=O)c1ccc2c(c1)nc(Cl)n2C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.58
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
SIRT2 Q8IXJ6 7/20 0.49
SIRT1 Q96EB6 6/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PDE2A O00408 1/20 0.48
MAPT P10636 3/20 0.47
NLRP3 Q96P20 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43

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
SCHEMBL4482058 0.79 PTGER4 (0.57) PTGER4ALDH1A1HPGDSIRT2SIRT1
SCHEMBL4471406 0.78 SIRT2 (0.71) ALDH1A1HPGDSIRT2SIRT1NPC1
SCHEMBL4728865 0.77 ATM (0.55) PTGER4ALDH1A1HPGDNPC1RAB9A
SCHEMBL14800136 0.75 KDM4E (0.58) ALDH1A1SIRT2SIRT1NPC1RAB9A
SCHEMBL6172359 0.74 SMN1; SMN2 (0.48) PTGER4ALDH1A1HPGDSIRT2SIRT1
SCHEMBL17938339 0.74 PTGER4 (1.00) PTGER4
SCHEMBL14800064 0.74 KDM4E (0.80) ALDH1A1HPGDSIRT2SIRT1NPC1
SCHEMBL28382487 0.73 NPC1 (0.56) PTGER4ALDH1A1HPGDSIRT2SIRT1
SCHEMBL1537629 0.73 KDM4E (0.40) ALDH1A1HPGDRAB9AMEN1KMT2A
SCHEMBL14800591 0.73 ALDH1A1 (0.48) PTGER4ALDH1A1HPGDSIRT2SIRT1

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
WO-2009116074-A2 SUBSTITUTED BENZIMIDAZOLES AS CANNABINOID MODULATOR CADILA HEALTHCARE LIMITED (IN) 2009-09-24 WO disclosed