SCHEMBL6515533

SCHEMBL6515533

Oc1cccc(-c2cc(O)ccc2C#Cc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 9/20 0.43
HSD17B2 P37059 8/20 0.43
ALOX5 P09917 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
PELI1 Q96FA3 1/20 0.41
ESR2 Q92731 4/20 0.40
ESR1 P03372 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
FFAR1 O14842 3/20 0.39
ADORA1 P30542 1/20 0.39
APP P05067 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL949266 0.86 APP (0.48) ALOX5CYP3A4CYP2C9ESR2ESR1
SCHEMBL949300 0.75 APP (0.48) ALOX5CYP3A4CYP2C9ESR2ESR1
SCHEMBL12246524 0.75 ESR2 (0.57) HSD17B1HSD17B2CYP3A4CYP2C9ESR2
SCHEMBL30493627 0.74 CA12 (0.59) HSD17B1HSD17B2CYP3A4FFAR1APP
SCHEMBL722068 0.74 CA12 (0.59) HSD17B1HSD17B2CYP3A4FFAR1APP
SCHEMBL6514043 0.73 ALOX5 (0.48) ALOX5CYP3A4CYP2C9ESR2ESR1
SCHEMBL8450704 0.73 ALOX5 (0.63) HSD17B1HSD17B2ALOX5CYP3A4CYP2C9
SCHEMBL23150841 0.73 APP (0.55) CYP3A4CYP2C9CYP1A2CYP2C19FFAR1
SCHEMBL716896 0.72 HNF4A (0.49) ALOX5CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL18607690 0.71 PTGDR2 (0.46) CYP3A4CYP2C9CYP1A2CYP2C19FFAR1

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-6881811-B2 Improved heat resistance and low relative permittivity; insulating films for electronic devices/multilayerd wiring boards ASAHI GLASS COMPANY, LIMITED (JP) 2005-04-19 US disclosed
US-20040147710-A1 Improved heat resistance and low relative permittivity; insulating films for electronic devices/multilayerd wiring boards ASAHI GLASS COMPANY LIMITED (JP) 2004-07-29 US disclosed
US-RE37599-E1 FROM PERFLUOROBENZENE OR FLUORINATED BENZENE POLYMERS AND AROMATIC DIOLS; USE IN COATING MICROELECTRONIC STRUCTURES, SUCH AS INTEGRATED CIRCUITS; LOW DIELECTRIC CONSTANT, LOW MOISTURE ABSORPTION, AND HIGH THERMAL STABILITY. ALLIEDSIGNAL INC. 2002-03-19 US disclosed