SCHEMBL5349162

SCHEMBL5349162

CCCCCCCC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.60
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MMP3 P08254 3/20 0.51
MMP2 P08253 3/20 0.50
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MMP1 P03956 1/20 0.47
MMP9 P14780 1/20 0.47
MMP13 P45452 1/20 0.47
RARB P10826 3/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL11766712 1.00 MGLL (0.60) MGLLHDAC1HDAC2TSHRHSD17B10
SCHEMBL11761113 1.00 MGLL (0.60) MGLLHDAC1HDAC2TSHRHSD17B10
SCHEMBL11736347 0.99 MGLL (0.58) MGLLHDAC1HDAC2TSHRHSD17B10
SCHEMBL27269166 0.96 MGLL (0.64) MGLLHDAC1HDAC2TSHRHSD17B10
SCHEMBL11742748 0.94 MGLL (0.58) MGLLHDAC1HDAC2TSHRHSD17B10
SCHEMBL4073842 0.94 MGLL (0.62) MGLLHDAC1HDAC2HSD17B10KMT2A
SCHEMBL16848613 0.93 HDAC1 (0.59) MGLLHDAC1HDAC2HSD17B10KMT2A
SCHEMBL16848615 0.93 HDAC1 (0.59) MGLLHDAC1HDAC2HSD17B10KMT2A
SCHEMBL16848620 0.93 HDAC1 (0.59) MGLLHDAC1HDAC2HSD17B10KMT2A
SCHEMBL19678432 0.93 TSHR (0.67) MGLLHDAC1HDAC2TSHRHSD17B10

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3952046-A P-ALKANOYLOXY OR ALKOXYCARBONYLOXY-P*-CYANO-, DIELECTRICS HOFFMANN-LA ROCHE INC. (US) 1976-04-20 US claimed
US-7186448-B2 Composition and method for temporarily fixing solid JSR CORPORATION (JP) 2007-03-06 US disclosed
US-20060275939-A1 Composition and method for temporarily fixing solids JSR CORPORATION (JP) 2006-12-07 US disclosed
EP-1522567-A1 COMPOSITION AND METHOD FOR TEMPORARILY FIXING SOLID JSR Corporation (JP) 2005-04-13 EP disclosed
US-20040185187-A1 Composition and method for temporarily fixing solid JSR CORPORATION (JP) 2004-09-23 US disclosed
US-4053431-A DIELECTRICS IN ELECTRO-OPTICAL DEVICES HOFFMANN-LA ROCHE INC. (US) 1977-10-11 US disclosed
US-3952046-A P-ALKANOYLOXY OR ALKOXYCARBONYLOXY-P*-CYANO-, DIELECTRICS HOFFMANN-LA ROCHE INC. (US) 1976-04-20 US disclosed