SCHEMBL11138024

SCHEMBL11138024

C=C(C)COC(CCC)Oc1ccc(C(C)(C)c2ccc(OC(CCC)OCC(=C)C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.36
HTT P42858 2/20 0.36
AR P10275 3/20 0.33
PSMB1 P20618 1/20 0.31
PSMB5 P28074 1/20 0.31
PSMB2 P49721 1/20 0.31
HPGD P15428 3/20 0.31
TSHR P16473 3/20 0.31
TP53 P04637 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP1A2 P05177 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PPARG P37231 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
ESR1 P03372 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL740789 0.89 HTT (0.35) HIF1AHTTARPSMB1PSMB5
Phenol SCHEMBL3097283 0.81 ALDH1A1 (0.42) HTTARHPGDTSHRMEN1
SCHEMBL17159497 0.80 HTT (0.33) HIF1AHTTARMEN1KMT2A
SCHEMBL59812 0.80 HTT (0.36) HIF1AHTTARPSMB1PSMB5
SCHEMBL9787282 0.76 SMN1; SMN2 (0.47) HIF1AHTTMEN1KMT2AALDH1A1
SCHEMBL7093685 0.76 HIF1A (0.37) HIF1AHTTARHPGDTSHR
SCHEMBL7518744 0.76 HIF1A (0.34) HIF1AHTTARHPGDTSHR
SCHEMBL631650 0.73
SCHEMBL203601 0.72 SMN1; SMN2 (0.49) HIF1AHTTARPSMB1PSMB5
SCHEMBL9510686 0.71 HTT (0.47) HIF1AHTTARPSMB1PSMB5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4394494-A DIURETHANE TETRAACRYLATES AS POLYMERIZABLE MONOMERS LION CORPORATION (JP) 1983-07-19 US disclosed
US-4388421-A PRIMERS LION CORPORATION (JP) 1983-06-14 US disclosed
US-4383052-A 1-Methacryloxyethane-1,1-diphosphonic acid and its salts and dental adhesive composition containing same LION CORPORATION (JP) 1983-05-10 US disclosed