SCHEMBL14587451

SCHEMBL14587451

C#CCCCOC(=O)/C=C/C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
HCAR2 Q8TDS4 7/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
ALOX5 P09917 4/20 0.44
MAPT P10636 2/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.40
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL14587457 0.89 HCAR2 (0.50) ATMHCAR2KEAP1NFE2L2ALOX5
SCHEMBL14587458 0.84 ATM (0.47) ATMHCAR2ALOX5MAPTRAB9A
SCHEMBL14587460 0.82 ATM (0.46) ATMHCAR2ALOX5MAPTRAB9A
SCHEMBL12215794 0.81 ATM (0.61) ATMHCAR2KEAP1NFE2L2MAPT
SCHEMBL13296108 0.81 ATM (0.61) ATMHCAR2KEAP1NFE2L2MAPT
SCHEMBL5590750 0.78 ALOX5 (0.48) ATMHCAR2ALOX5MAPTRAB9A
SCHEMBL5590749 0.78 ALOX5 (0.48) ATMHCAR2ALOX5MAPTRAB9A
SCHEMBL17187306 0.78 HCAR2 (0.68) ATMHCAR2KEAP1NFE2L2MAPT
Dimethyl Fumarate SCHEMBL8992615 0.77 ATM (0.83) ATMHCAR2KEAP1NFE2L2MAPT
SCHEMBL16039911 0.77 ZDHHC20 (0.55) ATMHCAR2KEAP1NFE2L2MAPT

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
US-7179907-B2 Antibiotic compounds SOMALOGIC OPERATING CO. INC. 2007-02-20 US disclosed
US-7179907-B2 Antibiotic compounds SOMALOGIC OPERATING CO. INC. 2007-02-20 US disclosed