SCHEMBL10907421

SCHEMBL10907421

COCc1ccc(O)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
HDAC1 Q13547 7/20 0.42
HDAC6 Q9UBN7 6/20 0.42
PTPN1 P18031 2/20 0.41
DBH P09172 1/20 0.41
CA2 P00918 1/20 0.41
HSD17B3 P37058 3/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
SNCA P37840 1/20 0.39
CCR6 P51684 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
SCHEMBL31617756 0.84 PTPN1 (0.41) ALOX15PTPN1CA2LMNATP53
SCHEMBL8709353 0.84 ALOX15 (0.38) ALOX15HDAC1HDAC6PTPN1DBH
SCHEMBL8709364 0.83 ALOX15 (0.37) ALOX15HDAC1HDAC6PTPN1DBH
SCHEMBL3807966 0.81 TRPA1 (0.58) ALOX15CA2LMNATP53SNCA
SCHEMBL4799519 0.81 PTPN1 (0.41) PTPN1CA2LMNATP53
SCHEMBL10499361 0.81 TAAR1 (0.43) ALOX15HDAC1HDAC6PTPN1LMNA
SCHEMBL16245050 0.79 CNR1 (0.55) PTPN1CA2LMNATP53
SCHEMBL10908075 0.78 CYP3A4 (0.51) HDAC1HDAC6CA2HDAC3HDAC2
SCHEMBL25446709 0.78 PRKCE (0.47) ALOX15PTPN1CA2LMNATP53
SCHEMBL3015906 0.78 ESR1 (0.63) PTPN1DBHLMNATP53ESR1

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
JP-55053229-A None JP disclosed
US-4588835-A Process for preparing alkoxyphenols OTSUKA KAGAKU YAKUHIN KABUSHIKI KAISHA (JP) 1986-05-13 US disclosed
JP-S5553229-A PREPARATION OF ALKOXYPHENOL COMPOUND OTSUKA CHEM CO LTD 1980-04-18 JP disclosed