SCHEMBL27680202

SCHEMBL27680202

CC=CC.Oc1ccc(O)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.50
ALOX12 P18054 1/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
NR1I2 O75469 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP2C9 P11712 1/20 0.40
MIF P14174 1/20 0.40
TYR P14679 1/20 0.40
HTT P42858 1/20 0.40
NFE2L2 Q16236 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAOB P27338 1/20 0.40
CNR2 P34972 1/20 0.38
PRMT1 Q99873 1/20 0.37
TRPA1 O75762 1/20 0.36
EP300 Q09472 1/20 0.36
AMY1A P0DUB6 1/20 0.36
CA12 O43570 2/20 0.35

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
Ethane SCHEMBL27660209 0.88 ALOX15 (0.56) ALOX15ALOX12ESR1ESR2NR1I2
SCHEMBL48156 0.88
SCHEMBL29457568 0.88
Methane SCHEMBL10390506 0.85 ALOX15 (0.59) ALOX15ALOX12ESR1ESR2NR1I2
SCHEMBL28818607 0.85 ALOX15 (0.59) ALOX15ALOX12ESR1ESR2NR1I2
Hydroquinone SCHEMBL11038247 0.85 ALOX15 (0.59) ALOX15ALOX12ESR1ESR2NR1I2
Phosphine SCHEMBL4584441 0.85 ALOX15 (0.59) ALOX15ALOX12ESR1ESR2NR1I2
Methoxymethane SCHEMBL11012839 0.84 ALOX15 (0.52) ALOX15ALOX12ESR1ESR2NR1I2
SCHEMBL10390504 0.77 ALOX15 (0.45) ALOX15ALOX12ESR1ESR2NR1I2
SCHEMBL28217340 0.75 MAOB (0.44) ALOX15ALOX12ESR1ESR2NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100491429-C Preparation method for water solution of phenol-formaldehyde resin JIANTAO FANYUNANSHAN PETROCHEM (CN) 2009-05-27 CN disclosed
CN-1958635-A Preparation method for water solution of phenol-formaldehyde resin JIANTAO FANYUNANSHAN PETROCHEM (CN) 2007-05-09 CN disclosed