SCHEMBL28093005

SCHEMBL28093005

C=C(C)C(=O)OCCCCCCCCCCc1cccs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
TSHR P16473 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
TDP1 Q9NUW8 2/20 0.49
APEX1 P27695 1/20 0.49
HTT P42858 1/20 0.49
THRB P10828 1/20 0.41
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL28093240 1.00 NPC1 (0.56) NPC1TSHRSMN1; SMN2POLBALDH1A1
SCHEMBL28050476 1.00 NPC1 (0.56) NPC1TSHRSMN1; SMN2POLBALDH1A1
SCHEMBL28093241 1.00 NPC1 (0.56) NPC1TSHRSMN1; SMN2POLBALDH1A1
SCHEMBL25918565 0.89 TSHR (0.52) NPC1TSHRSMN1; SMN2POLBALDH1A1
SCHEMBL9075962 0.88 MAPT (0.47) NPC1TSHRSMN1; SMN2POLBALDH1A1
SCHEMBL10341120 0.84 NPC1 (0.63) NPC1TSHRSMN1; SMN2POLBALDH1A1
SCHEMBL7949416 0.81 ALDH1A1 (0.51) NPC1TSHRSMN1; SMN2POLBALDH1A1
SCHEMBL7951335 0.81 ALDH1A1 (0.51) NPC1TSHRSMN1; SMN2POLBALDH1A1
SCHEMBL7941418 0.81 ALDH1A1 (0.51) NPC1TSHRSMN1; SMN2POLBALDH1A1
SCHEMBL7948770 0.81 ALDH1A1 (0.51) NPC1TSHRSMN1; SMN2POLBALDH1A1

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
CN-104364320-B Organic and inorganic blend compositions, its manufacture method, optical sheet and Optical devices 长康化工有限公司 2016-09-07 CN disclosed