SCHEMBL14534741

SCHEMBL14534741

CCCCONC(=O)CCC(Cc1cccc(C(=O)OCc2ccccc2)c1)C(=O)OCCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 6/20 0.43
FOLH1 Q04609 2/20 0.42
SLC7A5 Q01650 2/20 0.40
KMT2A Q03164 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 4/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL14508899 0.88 KMT2A (0.47) ALDH1A1TDP1RAB9AFOLH1SLC7A5
SCHEMBL14534518 0.88 ALDH1A1 (0.41) ALDH1A1TDP1TSHRCYP3A4MAPK1
SCHEMBL26424287 0.84 FOLH1 (0.50) ALDH1A1TDP1TSHRCYP3A4MAPK1
SCHEMBL26424285 0.81 LTA4H (0.42) ALDH1A1TDP1TSHRCYP3A4MAPK1
SCHEMBL14508890 0.80 TDP1 (0.54) ALDH1A1TDP1RAB9AFOLH1SLC7A5
SCHEMBL14534516 0.76 ALDH1A1 (0.46) ALDH1A1TDP1TSHRCYP3A4MAPK1
SCHEMBL18969810 0.76 TDP1 (0.72) ALDH1A1TDP1TSHRCYP3A4MAPK1
SCHEMBL23704713 0.73 FOLH1 (0.55) RAB9AFOLH1NPC1
SCHEMBL14534743 0.73 KMT2A (0.54) ALDH1A1TDP1RAB9AFOLH1SLC7A5
SCHEMBL14508891 0.73 TDP1 (0.50) ALDH1A1TDP1RAB9AFOLH1SLC7A5

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-7220780-B2 Naaladase inhibitors for treating retinal disorders and glaucoma GUILFORD PHARMACEUTICALS INC. (US) 2007-05-22 US disclosed