SCHEMBL13867952

SCHEMBL13867952

CCC(C)CCCOc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
ALDH1A1 P00352 1/20 0.49
MMP2 P08253 6/20 0.48
MMP3 P08254 5/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
RARB P10826 1/20 0.45
LMNA P02545 3/20 0.45
TP53 P04637 1/20 0.45
PRSS1 P07477 1/20 0.45
ACR P10323 1/20 0.45
NPC1 O15118 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL13384909 0.88 MMP2 (0.55) MAPTALDH1A1MMP2MMP3MMP1
SCHEMBL13384899 0.88 MMP2 (0.55) MAPTALDH1A1MMP2MMP3MMP1
SCHEMBL16603410 0.87 HDAC1 (0.47) MAPTALDH1A1MMP2MMP3HDAC1
SCHEMBL15583679 0.87 HDAC1 (0.47) MAPTALDH1A1MMP2MMP3HDAC1
SCHEMBL13384900 0.87 LMNA (0.58) MAPTALDH1A1MMP2MMP3HDAC1
SCHEMBL5881164 0.87 LMNA (0.58) MAPTALDH1A1MMP2MMP3HDAC1
SCHEMBL16437760 0.87 HRH3 (0.50) ALDH1A1MMP2MMP3HDAC1HDAC2
SCHEMBL23229072 0.86 MAPT (0.49) MAPTALDH1A1MMP2MMP3HDAC1
SCHEMBL11654970 0.84 MAPT (0.50) MAPTALDH1A1MMP2MMP3LMNA
SCHEMBL9715636 0.84 MAPT (0.50) MAPTALDH1A1MMP2MMP3LMNA

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-7515339-B2 Light pipe and polarized-light source NITTO DENKO CORPORATION (JP) 2009-04-07 US disclosed