SCHEMBL13475438

SCHEMBL13475438

CCCNC(=O)CC(O)CC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.45
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
EPHX1 P07099 1/20 0.38
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
CASP2 P42575 1/20 0.36
CNR1 P21554 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
NAAA Q02083 1/20 0.34

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
SCHEMBL3832638 0.85 ALDH1A1 (0.45) MEN1KMT2AALDH1A1USP2CNR1
SCHEMBL5986606 0.80 MCL1 (0.47) MCL1MMP1MMP2MMP3MMP9
SCHEMBL5907647 0.80 ALDH1A1 (0.48) MCL1MMP1MMP2MMP3MMP9
SCHEMBL7616135 0.79 GPR84 (0.42) MCL1MEN1KMT2AALDH1A1EPHX1
SCHEMBL26151157 0.78 MCL1 (0.45) MCL1MMP1MMP2MMP3MMP9
SCHEMBL25206469 0.77
SCHEMBL1577892 0.77 SMN1; SMN2 (0.53) MCL1MMP1MMP2MMP3MMP9
SCHEMBL24254458 0.77
SCHEMBL10631510 0.77 MCL1 (0.44) MCL1MMP1MMP2MMP3MMP9
SCHEMBL16135671 0.77 CYP2D6 (0.46) MMP1KMT2AEPHX1USP2LMNA

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