SCHEMBL21597883

SCHEMBL21597883

C=Cc1ccc(C(=O)NCCCCCC(=O)O)cn1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.62
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KDM4E B2RXH2 5/20 0.55
KDM4C Q9H3R0 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
POLB P06746 3/20 0.51
ALDH1A1 P00352 2/20 0.51
FOLH1 Q04609 2/20 0.51
ALOX15 P16050 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 1/20 0.48
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
HDAC1 Q13547 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL21597886 0.83 KDM4E (0.48) MAPK1KDM4EKDM4CHDAC6FOLH1
SCHEMBL10099585 0.81 MAPK1 (0.69) MAPK1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL9829017 0.81 MAPK1 (0.69) MAPK1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL1813428 0.80 MAPK1 (0.77) MAPK1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL13593276 0.80 MAPK1 (0.77) MAPK1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL428355 0.79 MAPK1 (1.00) MAPK1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL8031999 0.78 MAPK1 (0.64) MAPK1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL9072712 0.77 KDM4E (0.54) MAPK1KDM4EKDM4CHDAC6FOLH1
SCHEMBL16688446 0.76 MAPK1 (0.61) MAPK1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL20341547 0.76 FOLH1 (0.61) MAPK1CYP1A2CYP2C9CYP2C19KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019243825-A1 SMALL MOLECULE MODULATORS OF HUMAN STING, CONJUGATES AND THERAPEUTIC APPLICATIONS CURADEV PHARMA LIMITED (GB) 2019-12-26 WO disclosed
WO-2019243825-A1 SMALL MOLECULE MODULATORS OF HUMAN STING, CONJUGATES AND THERAPEUTIC APPLICATIONS CURADEV PHARMA LIMITED (GB) 2019-12-26 WO disclosed