SCHEMBL9011624

SCHEMBL9011624

c1ccc(COCCCCCCCOCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
L3MBTL1 Q9Y468 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
HRH4 Q9H3N8 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
GBA1 P04062 2/20 0.49
UGCG Q16739 2/20 0.49
GBA2 Q9HCG7 2/20 0.49
EPHX2 P34913 1/20 0.49
NAAA Q02083 3/20 0.48
IDO1 P14902 1/20 0.48
AGXT P21549 1/20 0.46
LTA4H P09960 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KCNA3 P22001 1/20 0.44

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
SCHEMBL9011734 1.00 TSHR (0.67) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL9011715 1.00 TSHR (0.67) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL9011646 1.00 TSHR (0.67) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL25195898 0.98 TSHR (0.64) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL2640223 0.97 TSHR (0.70) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL20535824 0.95 TSHR (0.61) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL23405397 0.95 TSHR (0.61) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL9011595 0.95 TSHR (0.67) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL21184508 0.93 TSHR (0.64) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL16595002 0.93 TSHR (0.64) TSHRL3MBTL1TDP1HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5529874-A ETHER CARRIER LIQUID AND TONER PARTICLES DISPERSED THEREIN; SUITABLE FOR HIGH SPEED COPYING FUJI XEROX CO., LTD. (JP) 1996-06-25 US disclosed