SCHEMBL7917889

SCHEMBL7917889

N#Cc1cccc(-c2ccc(CCC(CCCc3cccc4ccccc34)C(=O)O)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.55
MMP13 P45452 2/20 0.55
FOLH1 Q04609 1/20 0.44
MME P08473 1/20 0.41
MMP3 P08254 6/20 0.41
MMP2 P08253 5/20 0.41
XDH P47989 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
ADAMTS4 O75173 1/20 0.39
FFAR1 O14842 2/20 0.38
AKR1B1 P15121 1/20 0.38
FAAH O00519 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7924568 0.92 MMP12 (0.48) MMP12MMP13FOLH1MMP3MMP2
SCHEMBL7928277 0.90 MMP12 (0.64) MMP12MMP13FOLH1MMEMMP3
SCHEMBL7932591 0.88 MMP12 (0.63) MMP12MMP13FOLH1MMEMMP3
SCHEMBL3469955 0.82 SLC13A5 (0.46) MMP3MMP2AKR1B1
SCHEMBL7924636 0.82 MMP12 (0.65) MMP12MMP13FOLH1MMEMMP2
SCHEMBL1858161 0.81 KMT2A (0.52) FFAR1AKR1B1KMT2A
SCHEMBL3467249 0.81 MMP12 (0.54) MMP12MMP13FOLH1MMP3MMP2
SCHEMBL1859538 0.80 MMP12 (0.47) MMP12MMP3MMP2
SCHEMBL7929539 0.79 MMP2 (0.48) MMP3MMP2FFAR1AKR1B1KMT2A
SCHEMBL7926499 0.79 PTPN1 (0.53) MMP3MMP2FFAR1AKR1B1KMT2A

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
WO-2010070076-A1 ALKANOIC ACID DERIVATIVES AND THEIR THERAPEUTIC USE AS HDAC INHIBITORS CRYSTAX PHARMACEUTICALS, S.L. (ES) 2010-06-24 WO disclosed