SCHEMBL17201467

SCHEMBL17201467

C=Cc1ccc2c(c1)C(C)(C)c1cc(C=C)ccc1-2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TRPA1 O75762 1/20 0.37
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
PDK2 Q15119 2/20 0.33
HDAC8 Q9BY41 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL1477667 0.91 PDK2 (0.41) ALKALDH1A1TP53TDP1TRPA1
SCHEMBL14427937 0.91 ALK (0.41) ALKALDH1A1TP53TDP1TRPA1
SCHEMBL24742475 0.89 PDK2 (0.40) ALKALDH1A1TP53TDP1TRPA1
SCHEMBL14427913 0.82 ALK (0.59) ALKPDK2
SCHEMBL25657128 0.81 PDK2 (0.45) ALKALDH1A1TDP1MAPTPKM
SCHEMBL15977004 0.81 PDK2 (0.35) ALKALDH1A1TP53TDP1MAPT
SCHEMBL28426241 0.79 MLNR (0.38) ALKALDH1A1TP53TDP1TRPA1
SCHEMBL12934281 0.78 ALDH1A1 (0.41) ALDH1A1TDP1TSHR
SCHEMBL29588873 0.78 ALDH1A1 (0.41) ALDH1A1TDP1TSHR
SCHEMBL19050749 0.78 PDK2 (0.33) ALKALDH1A1TDP1MAPTPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9837624-B2 Tailoring the optical gap and absorption strength of silicon quantum dots by surface modification with conjugated organic moieties COLORADO SCHOOL OF MINES (US) 2017-12-05 US disclosed
US-20150311289-A1 Tailoring the Optical Gap and Absorption Strength of Silicon Quantum Dots by Surface Modification with Conjugated Organic Moieties NATIONAL SCIENCE FOUNDATION 2015-10-29 US disclosed