SCHEMBL20534698

SCHEMBL20534698

c1ccc(CCCCCCCCCCCCCCCCOCc2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.75
L3MBTL1 Q9Y468 1/20 0.75
TSHR P16473 1/20 0.56
SIGMAR1 Q99720 6/20 0.50
SPHK1 Q9NYA1 2/20 0.50
IDO1 P14902 1/20 0.50
HRH4 Q9H3N8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
MAOA P21397 1/20 0.48
MAPT P10636 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL3446778 1.00 TDP1 (0.75) TDP1L3MBTL1TSHRSIGMAR1SPHK1
Phenol SCHEMBL28085364 0.93 TDP1 (0.67) TDP1L3MBTL1TSHRSPHK1HRH4
SCHEMBL4069939 0.91 TDP1 (0.64) TDP1L3MBTL1TSHRSIGMAR1IDO1
SCHEMBL9011734 0.91 TSHR (0.67) TDP1L3MBTL1TSHRIDO1HRH4
SCHEMBL9011646 0.91 TSHR (0.67) TDP1L3MBTL1TSHRIDO1HRH4
SCHEMBL9011624 0.91 TSHR (0.67) TDP1L3MBTL1TSHRIDO1HRH4
SCHEMBL9011715 0.91 TSHR (0.67) TDP1L3MBTL1TSHRIDO1HRH4
SCHEMBL1835993 0.91 TDP1 (0.69) TDP1L3MBTL1SPHK1
Phenol SCHEMBL28176899 0.90 TDP1 (0.64) TDP1L3MBTL1TSHRSPHK1IDO1
SCHEMBL7601255 0.89 L3MBTL1 (0.68) TDP1L3MBTL1TSHRSIGMAR1SPHK1

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
EP-3609889-A1 SMALL MOLECULES University Of Dundee (GB) 2020-02-19 EP disclosed
WO-2018189554-A1 SMALL MOLECULES UNIVERSITY OF DUNDEE (GB) 2018-10-18 WO disclosed