SCHEMBL8893085

SCHEMBL8893085

NCCCCCCCCCCCCOCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
TSHR P16473 1/20 0.54
MAOA P21397 1/20 0.52
SSTR1 P30872 1/20 0.49
SSTR2 P30874 1/20 0.49
SSTR4 P31391 1/20 0.49
SSTR3 P32745 1/20 0.49
SSTR5 P35346 1/20 0.49
HRH4 Q9H3N8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
IDO1 P14902 1/20 0.45
GBA1 P04062 2/20 0.43
UGCG Q16739 2/20 0.43
GBA2 Q9HCG7 2/20 0.43
EPHX2 P34913 1/20 0.43
AGXT P21549 1/20 0.43

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
SCHEMBL6268086 1.00 L3MBTL1 (0.54) L3MBTL1TDP1TSHRMAOASSTR1
SCHEMBL4230078 1.00 L3MBTL1 (0.54) L3MBTL1TDP1TSHRMAOASSTR1
SCHEMBL15923248 1.00 L3MBTL1 (0.54) L3MBTL1TDP1TSHRMAOASSTR1
Hydrochloric Acid SCHEMBL20492261 0.98 L3MBTL1 (0.53) L3MBTL1TDP1TSHRMAOASSTR1
Hydrochloric Acid SCHEMBL9781752 0.98 L3MBTL1 (0.53) L3MBTL1TDP1TSHRMAOASSTR1
SCHEMBL4574564 0.98 TSHR (0.56) L3MBTL1TDP1TSHRMAOASSTR1
SCHEMBL26813047 0.92 TSHR (0.54) L3MBTL1TDP1TSHRMAOASSTR1
SCHEMBL2782 0.92 TSHR (0.58) L3MBTL1TDP1TSHRMAOAHRH4
SCHEMBL9011624 0.89 TSHR (0.67) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL9011734 0.89 TSHR (0.67) L3MBTL1TDP1TSHRHRH4HRH3

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-5618793-A ANTIFUNGAL AGENT SCHERING CORPORATION (US) 1997-04-08 US disclosed
US-5346898-A FOR TREATING FUNGAL INFECTIONS IN MAMMALS SCHERING CORPORATION (US) 1994-09-13 US disclosed