SCHEMBL19396237

SCHEMBL19396237

CCC(=O)c1cc(CC)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSP90AB1 P08238 1/20 0.43
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.41
ALOX15 P16050 2/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
TRPA1 O75762 1/20 0.41
PKM P14618 1/20 0.40
ALDH1A1 P00352 4/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
METAP2 P50579 1/20 0.38
GAA P10253 1/20 0.37
AGTR1 P30556 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
HMGCR P04035 1/20 0.37
HSD17B10 Q99714 2/20 0.37

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
SCHEMBL20367161 0.85 CYP4F2 (0.43) MEN1KMT2ATSHRMAPTALOX15
SCHEMBL17424893 0.85 GSK3B (0.42) MEN1KMT2ATSHRMAPTALOX15
SCHEMBL28401248 0.85 PKM (0.43) MEN1KMT2ATSHRMAPTALOX15
SCHEMBL13652492 0.82 ALDH1A1 (0.50) TRPA1PKMALDH1A1METAP2KDM4E
SCHEMBL4678087 0.82 TRPA1 (0.42) KMT2AMAPTTP53TRPA1PKM
SCHEMBL11062512 0.81 TRPA1 (0.55) MEN1KMT2AHSP90AB1MAPTALOX15
SCHEMBL31693367 0.80 MEN1 (0.65) MEN1KMT2AHSP90AB1TSHRMAPT
SCHEMBL9720686 0.80 MEN1 (0.65) MEN1KMT2AHSP90AB1TSHRMAPT
SCHEMBL9041416 0.79 ALDH1A1 (0.53) MEN1KMT2AHSP90AB1TSHRMAPT
SCHEMBL15999757 0.79 ALDH1A1 (0.53) TSHRMAPTALOX15PKMALDH1A1

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-10266874-B2 Methods, kits, and systems for multiplexed detection of target molecules and uses thereof THE GENERAL HOSPITAL CORPORATION (US) 2019-04-23 US disclosed
US-20170275669-A1 METHODS, KITS, AND SYSTEMS FOR MULTIPLEXED DETECTION OF TARGET MOLECULES AND USES THEREOF NANOSTRING TECHNOLOGIES, INC. 2017-09-28 US disclosed
US-20170275669-A1 METHODS, KITS, AND SYSTEMS FOR MULTIPLEXED DETECTION OF TARGET MOLECULES AND USES THEREOF NANOSTRING TECHNOLOGIES, INC. 2017-09-28 US disclosed