SCHEMBL12601883

SCHEMBL12601883

COP(=O)(OC)Oc1cc(C)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
ACHE P22303 1/20 0.42
TSHR P16473 5/20 0.41
CYP3A4 P08684 3/20 0.41
TDP1 Q9NUW8 3/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 3/20 0.39
MEN1 O00255 1/20 0.38
HCRTR1 O43613 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 1/20 0.38
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SAE1 Q9UBE0 1/20 0.37

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
SCHEMBL15020560 0.90 TSHR (0.50) SMN1; SMN2HTTLMNAACHETSHR
SCHEMBL31453899 0.90 TSHR (0.50) SMN1; SMN2HTTLMNAACHETSHR
SCHEMBL14047520 0.81 HPGD (0.44) SMN1; SMN2LMNAACHETSHRCYP3A4
SCHEMBL11555661 0.78 HTT (0.44) SMN1; SMN2HTTLMNAACHETSHR
SCHEMBL8620844 0.78 INPPL1 (0.52) SMN1; SMN2HTTLMNATSHRCYP2C9
SCHEMBL5851888 0.78 HTT (0.47) SMN1; SMN2HTTLMNATSHRTDP1
SCHEMBL27430826 0.76 KDM4E (0.46) SMN1; SMN2HTTLMNAACHETSHR
SCHEMBL13301694 0.76 LMNA (0.41) SMN1; SMN2HTTLMNAACHETSHR
SCHEMBL25352073 0.75 CYP3A4 (0.47) SMN1; SMN2TSHRCYP3A4TDP1CYP2C9
SCHEMBL108984 0.74 CYP3A4 (0.50) SMN1; SMN2LMNAACHETSHRCYP3A4

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
US-20110109857-A1 LIQUID CRYSTAL DISPLAY DEVICE JAPAN DISPLAY EAST INC. (JP) 2011-05-12 US disclosed