SCHEMBL2208774

SCHEMBL2208774

CCCC(O)C(CCCC(O)COc1cccc(C(N)CCO)c1)Oc1cccc(C(O)CCN)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
MEN1 O00255 1/20 0.36
GMNN O75496 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
ALOX5 P09917 1/20 0.36
HPGD P15428 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MTOR P42345 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL3702329 0.80 TSHR (0.46) MAPK1TP53TSHRHIF1AALDH1A1
SCHEMBL11996500 0.79 MAPK1 (0.47) MAPK1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL29818688 0.79 HIF1A (0.47) MAPK1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL19291815 0.79 HIF1A (0.47) MAPK1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL2205422 0.79 HIF1A (0.47) MAPK1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL20483108 0.75 MAPK1 (0.43) MAPK1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL4072755 0.73 MAPK1 (0.44) MAPK1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL17031426 0.73 MAPK1 (0.42) MAPK1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL13881570 0.72 MAPK1 (0.46) MAPK1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL2205459 0.72 MAPK1 (0.46) MAPK1TP53CYP1A2CYP3A4CYP2C9

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-7982071-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2011-07-19 US disclosed