SCHEMBL15967771

SCHEMBL15967771

O=C1[C@@H]2C3C=CC(C3)[C@@H]2C(=O)N1CCCCCCO

nearest known ligand 0.87

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.87
TSHR P16473 2/20 0.87
USP2 O75604 1/20 0.87
HSD17B10 Q99714 1/20 0.87
RAB9A P51151 2/20 0.83
MEN1 O00255 2/20 0.83
KMT2A Q03164 2/20 0.83
ALDH1A1 P00352 8/20 0.80
MAPK1 P28482 1/20 0.59
KDM4E B2RXH2 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL28740189 1.00 HTT (0.87) HTTTSHRUSP2HSD17B10RAB9A
SCHEMBL20546502 1.00 HTT (0.87) HTTTSHRUSP2HSD17B10RAB9A
SCHEMBL29249606 1.00 HTT (0.87) HTTTSHRUSP2HSD17B10RAB9A
SCHEMBL31141363 0.98 HTT (0.90) HTTTSHRUSP2HSD17B10RAB9A
SCHEMBL15958848 0.93 HTT (1.00) HTTTSHRUSP2HSD17B10RAB9A
SCHEMBL597717 0.93 HTT (1.00) HTTTSHRUSP2HSD17B10RAB9A
SCHEMBL13864170 0.91 MEN1 (1.00) HTTTSHRUSP2HSD17B10RAB9A
SCHEMBL19387118 0.86 HTT (0.80) HTTTSHRUSP2HSD17B10RAB9A
SCHEMBL22279732 0.86 HTT (0.80) HTTTSHRUSP2HSD17B10RAB9A
SCHEMBL15289758 0.86 HTT (0.80) HTTTSHRUSP2HSD17B10RAB9A

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
WO-2018106738-A1 BRUSH-ARM STAR POLYMERS, CONJUGATES AND PARTICLES, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-06-14 WO disclosed
US-9575212-B2 Chiral polymers for the self-assembly of photonic crystals CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-02-21 US disclosed
US-20140243483-A1 Chiral Polymers for the Self-Assembly of Photonic Crystals CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-08-28 US disclosed