SCHEMBL8835772

SCHEMBL8835772

C=C(C)C(=O)Oc1ccc(C(CC)=C(CC)c2ccc(OC(=O)C(=C)C)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
ESR1 P03372 3/20 0.64
HIF1A Q16665 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
RECQL P46063 1/20 0.64
ELANE P08246 3/20 0.61
NR1I2 O75469 3/20 0.52
ATM Q13315 1/20 0.49
BLM P54132 1/20 0.49
STS P08842 1/20 0.47
PTGS2 P35354 2/20 0.44
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL16265303 0.90 KMT2A (0.53) KMT2AESR1HIF1ASMN1; SMN2RECQL
SCHEMBL8835840 0.87 ELANE (0.58) KMT2AESR1HIF1ASMN1; SMN2RECQL
SCHEMBL14048482 0.86 ELANE (0.61) KMT2AESR1HIF1ASMN1; SMN2RECQL
SCHEMBL16265255 0.84 ELANE (0.49) KMT2AESR1HIF1ASMN1; SMN2RECQL
SCHEMBL16265257 0.84 KMT2A (0.47) KMT2AESR1HIF1ASMN1; SMN2RECQL
Urethane SCHEMBL17028562 0.84 ESR1 (0.47) KMT2AESR1HIF1ASMN1; SMN2RECQL
SCHEMBL8836033 0.84 ELANE (0.55) KMT2AESR1HIF1ASMN1; SMN2RECQL
Butane SCHEMBL15309676 0.83 ELANE (0.61) KMT2AESR1HIF1ASMN1; SMN2RECQL
SCHEMBL56436 0.83 ELANE (0.69) KMT2ASMN1; SMN2ELANEATMMAPT
SCHEMBL14764240 0.82 ELANE (0.56) KMT2AESR1HIF1ASMN1; SMN2RECQL

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-5674576-A A LIGHT MODULATING LAYER COMPOSED OF LIQUID CRYSTAL AND HIGH POLYMER RESIN IS SANDWHICHED BETWEEN TWO SUBSTRATES HAVING ELECTRODE LAYERS, MONOMERS ARE OF(METH)ACRYLOYL COMPOUNDS WITH STIBENE OR (METH)ACRYLOYL WITH DIOXANE OR DIOXOLANES NEC CORPORATION (JP) 1997-10-07 US disclosed