SCHEMBL13610228

SCHEMBL13610228

CCCCCCCCCCCCCCCCCCCCCCCCCCCCOCC1CCOC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.39
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
EPHX1 P07099 1/20 0.36
CES2 O00748 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL13895034 0.87 SMN1; SMN2 (0.42) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2
SCHEMBL11724797 0.87 ALDH1A1 (0.63) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2
SCHEMBL28774507 0.87 ALDH1A1 (0.63) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2
SCHEMBL27175298 0.85 ALDH1A1 (0.60) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2
SCHEMBL22857719 0.84 ALDH1A1 (0.47) ALDH1A1TDP1SMN1; SMN2SPHK2SPHK1
SCHEMBL13455410 0.81 TSHR (0.38) ALDH1A1TDP1SMN1; SMN2TSHR
SCHEMBL28030935 0.79 SMN1; SMN2 (0.57) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2
SCHEMBL8284512 0.79
SCHEMBL13923572 0.78 ALDH1A1 (0.61) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2
SCHEMBL8434237 0.78 ALDH1A1 (0.61) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2

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-7615641-B2 Long chain aliphatic alcohol derivatives and methods of making and using same SINO PHARMACEUTICALS CORPORATION (CA) 2009-11-10 US disclosed
US-7615641-B2 Long chain aliphatic alcohol derivatives and methods of making and using same SINO PHARMACEUTICALS CORPORATION (CA) 2009-11-10 US disclosed