SCHEMBL24523099

SCHEMBL24523099

CCC(=O)OCCCCCCOc1cc(=O)[nH]c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 16/20 0.57
ALDH1A1 P00352 8/20 0.57
TSHR P16473 3/20 0.57
LMNA P02545 1/20 0.57
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 4/20 0.51
ATM Q13315 1/20 0.46
HTT P42858 1/20 0.44
CYP1A2 P05177 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GRM5 P41594 1/20 0.43
HPGD P15428 3/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 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
SCHEMBL24237032 0.84 KDM4E (0.61) KDM4EALDH1A1TSHRLMNAMAPK1
SCHEMBL24522812 0.83 KDM4E (0.52) KDM4EALDH1A1TSHRLMNAMAPK1
SCHEMBL11707712 0.82 KDM4E (0.61) KDM4EALDH1A1TSHRLMNAMAPK1
SCHEMBL5721982 0.80 KDM4E (0.55) KDM4EALDH1A1TSHRLMNAMAPK1
SCHEMBL31240336 0.79 CYP1A2 (0.47) KDM4EALDH1A1TSHRLMNAMAPK1
SCHEMBL24522849 0.78 KCNA3 (0.67)
SCHEMBL24522731 0.78 KCNA3 (0.67)
SCHEMBL11380959 0.77 KDM4E (0.56) KDM4EALDH1A1TSHRLMNAMAPK1
SCHEMBL24522967 0.77 HTT (0.45) KDM4EALDH1A1LMNAHTTCYP1A2
SCHEMBL24522951 0.77 HTT (0.45) KDM4EALDH1A1LMNAHTTCYP1A2

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
EP-4015512-A1 OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2022-06-22 EP disclosed