SCHEMBL7946647

SCHEMBL7946647

CC(C)(O)C=O.c1cc2cc-2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
APP P05067 1/20 0.39
DHODH Q02127 1/20 0.39
ASIC1 P78348 1/20 0.39
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
KMO O15229 1/20 0.39
GGPS1 O95749 1/20 0.37
PGR P06401 1/20 0.37
CYP2C9 P11712 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2E1 P05181 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP4B1 P13584 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
Formic Acid SCHEMBL3169782 0.76
Acetaldehyde SCHEMBL895439 0.76
SCHEMBL27787745 0.76 CYP1A1 (0.42) ESR1MEN1KMT2ADHODHASIC1
SCHEMBL28165692 0.75 PTPN1 (0.39) ESR1MEN1KMT2AAPPDHODH
SCHEMBL27798276 0.73 MEN1 (0.46) ESR1MEN1KMT2AAPPKMO
Amylene Hydrate SCHEMBL6543769 0.73 MEN1 (0.42) ESR1MEN1KMT2AAPPRXRA
Formic Acid SCHEMBL27898680 0.73 MEN1 (0.42) ESR1MEN1KMT2AAPPDHODH
SCHEMBL27992852 0.73 CYP1A1 (0.43) ESR1MEN1KMT2AAPPKMO
Chloromethane SCHEMBL28135949 0.73
Methyl Alcohol SCHEMBL27613845 0.73

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-6261684-B1 MULTILAYER; INDIUM TIN OXIDE TOMOEGAWA PAPER CO., LTD (JP) 2001-07-17 US disclosed