SCHEMBL20001411

SCHEMBL20001411

CCCn1cc(C(C)(C)O)nn1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.49
AR P10275 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
IDO1 P14902 1/20 0.38
IDO2 Q6ZQW0 1/20 0.38
NEU4 Q8WWR8 1/20 0.36
DPP4 P27487 1/20 0.36
GBA1 P04062 6/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL23081491 0.89 SMPD1 (0.57) SMPD1ARCYP1A2CYP2C19HRH4
SCHEMBL616778 0.86 SMPD1 (0.67) SMPD1HRH4HRH3GBA1
SCHEMBL12392028 0.85 HRH4 (0.51) SMPD1HRH4HRH3IDO1IDO2
SCHEMBL16264805 0.85 AR (0.42) SMPD1ARCYP1A2CYP2C19HRH4
SCHEMBL10065573 0.80 NR1H4 (0.42) SMPD1ARCYP1A2CYP2C19HRH4
SCHEMBL16263166 0.79 AR (0.41) SMPD1ARCYP1A2CYP2C19HRH4
SCHEMBL18625956 0.77 NEU4 (0.37) SMPD1ARCYP1A2CYP2C19NEU4
SCHEMBL4224866 0.77 GBA1 (0.47) GBA1
SCHEMBL14037186 0.76 NEU4 (0.40) SMPD1ARCYP1A2CYP2C19HRH4
SCHEMBL616557 0.76 NR1H4 (0.39) SMPD1ARCYP1A2CYP2C19NEU4

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
EP-2999707-B1 TYLOSIN DERIVATIVES AND METHOD FOR PREPARATION THEREOF BAYER ANIMAL HEALTH GMBH (DE) 2018-03-28 EP disclosed