SCHEMBL5899543

SCHEMBL5899543

C=CC(=O)OCC(C)Oc1ccc(C(C)(C)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
KDM4E B2RXH2 10/20 0.45
ALDH1A1 P00352 8/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
GAA P10253 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
HTT P42858 2/20 0.42
THRB P10828 1/20 0.42
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 2/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38

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
SCHEMBL15307550 0.95 TSHR (0.50) TSHRKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL28483793 0.88 THRB (0.46) KDM4EALDH1A1SMN1; SMN2GAATDP1
SCHEMBL181493 0.87 TSHR (0.56) TSHRALDH1A1GAATHRBNPC1
SCHEMBL10033245 0.84 MAPT (0.52) TSHRGAATHRBMTNR1AMTNR1B
Ethylene Glycol SCHEMBL5683074 0.82 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2GAATDP1
SCHEMBL30864160 0.81 KMT2A (0.53) KDM4EALDH1A1SMN1; SMN2GAATDP1
SCHEMBL955583 0.81 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2GAATDP1
SCHEMBL10785763 0.78 TSHR (0.40) TSHRKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL69516 0.78 THRB (0.71) KDM4EALDH1A1SMN1; SMN2GAATDP1
SCHEMBL15500177 0.78 AR (0.45) TSHRKDM4EALDH1A1SMN1; SMN2GAA

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-20060261318-A1 Light control film SUMITOMO CHEMICAL COMPANY, LIMITED 2006-11-23 US disclosed