SCHEMBL13475439

SCHEMBL13475439

CCCNC(=O)CC(CC)CO

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.42
ALDH1A1 P00352 1/20 0.39
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
NAAA Q02083 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX1 P07099 1/20 0.35
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
CASP2 P42575 1/20 0.34
CNR1 P21554 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
FAAH O00519 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
SCHEMBL13475438 0.75 MCL1 (0.45) MCL1ALDH1A1MMP1MMP2MMP3
SCHEMBL26151157 0.75 MCL1 (0.45) MCL1ALDH1A1MMP1MMP2MMP3
SCHEMBL1577892 0.74 SMN1; SMN2 (0.53) MCL1ALDH1A1MMP1MMP2MMP3
SCHEMBL22851495 0.73 ALDH1A1 (0.38) MCL1ALDH1A1MMP1MMP2MMP3
SCHEMBL5907647 0.72 ALDH1A1 (0.48) MCL1ALDH1A1MMP1MMP2MMP3
SCHEMBL5986606 0.72 MCL1 (0.47) MCL1ALDH1A1MMP1MMP2MMP3
SCHEMBL25654449 0.72 CA2 (0.45) MCL1MMP1MMP2MMP3MMP9
SCHEMBL14571059 0.72 MCL1 (0.43) MCL1ALDH1A1MMP1MMP2MMP3
SCHEMBL14655233 0.71 MCL1 (0.45) MCL1ALDH1A1MMP1MMP2MMP3
SCHEMBL14752354 0.71 MCL1 (0.45) MCL1ALDH1A1MMP1MMP2MMP3

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-20100041794-A1 HYDROXYL-TERMINATED OR CARBOXYLIC ACID-TERMINATED REACTIVE MONOMER COMPOSITIONS, THEIR PREPARATION AND THEIR USE DOW GLOBAL TECHNOLOGIES LLC 2010-02-18 US disclosed