SCHEMBL4451300

SCHEMBL4451300

CCCCP(=O)(OC1CCCCC1)OC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
NAAA Q02083 3/20 0.42
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TERT O14746 1/20 0.36
UCHL3 P15374 1/20 0.36
AKT1 P31749 1/20 0.36
MAPK14 Q16539 1/20 0.36
EPHX1 P07099 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.31

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
SCHEMBL9249996 0.92 NAAA (0.43) ACHENAAATERTUCHL3AKT1
SCHEMBL575220 0.91 ACHE (0.41) ACHENAAACYP1A2HPGDSMN1; SMN2
SCHEMBL4451817 0.90 SMN1; SMN2 (0.41) HPGDSMN1; SMN2TERTUCHL3AKT1
SCHEMBL2485126 0.90 ACHE (0.40) ACHENAAACYP1A2HPGDSMN1; SMN2
SCHEMBL575453 0.89 ACHE (0.38) ACHENAAACYP1A2HPGDSMN1; SMN2
SCHEMBL4454835 0.88 ACHE (0.47) ACHENAAACYP1A2TERTUCHL3
SCHEMBL3294657 0.88 TERT (0.43) ACHENAAAHPGDSMN1; SMN2TERT
SCHEMBL575870 0.85 ACHE (0.44) ACHENAAACYP1A2HPGDSMN1; SMN2
SCHEMBL576135 0.84 ACHE (0.36) ACHENAAACYP1A2HPGDSMN1; SMN2
SCHEMBL6361086 0.83 ACHE (0.48) ACHEEPHX1NPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835581-B2 Neutral layer polymer composition for directed self assembly and processes thereof AZ ELECTRONIC MATERIALS (LUXEMBOURG) S.A.R.L. (LU) 2014-09-16 US disclosed
US-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed