SCHEMBL11527329

SCHEMBL11527329

C=CC(=O)c1ccoc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
ESR2 Q92731 1/20 0.47
POLB P06746 5/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 1/20 0.44
NPC1 O15118 2/20 0.43
PKM P14618 2/20 0.43
LMNA P02545 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GLA P06280 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
ESR1 P03372 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL11531142 0.79 TP53 (0.42) TSHRPOLBKMT2AMEN1SMN1; SMN2
SCHEMBL11528640 0.77 THRB (0.47) MAPK1TSHRPOLBKMT2AMEN1
SCHEMBL28474528 0.76 MAPK1 (0.55) MAPK1TSHRESR2POLBKMT2A
SCHEMBL6630555 0.74
SCHEMBL757449 0.74
SCHEMBL701960 0.73 HSD17B10 (0.59) MAPK1TSHRESR2POLBKMT2A
SCHEMBL1164338 0.72
SCHEMBL8585126 0.72 MAPK1 (0.52) MAPK1TSHRESR2POLBKMT2A
SCHEMBL8929843 0.72
SCHEMBL302524 0.72

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-4145366-A ACID CATALYST TEIJIN LIMITED (JP) 1979-03-20 US claimed
US-4145366-A ACID CATALYST TEIJIN LIMITED (JP) 1979-03-20 US disclosed
US-4100180-A PLATINUM OXIDE CATALYST TEIJIN, LIMITED (JP) 1978-07-11 US disclosed