SCHEMBL9492963

SCHEMBL9492963

O=C(Cl)c1ccc(O)c(C(=O)Cl)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.41
SELP P16109 1/20 0.41
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.35
HDAC1 Q13547 1/20 0.35
PIK3CA P42336 3/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
THRB P10828 1/20 0.33
PRKCI P41743 1/20 0.32
MEN1 O00255 1/20 0.32
PDE4A P27815 1/20 0.32
BLVRB P30043 1/20 0.32
KDR P35968 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL30863510 0.81 SELL (0.62) SELLSELPALDH1A1ALOX15HDAC1
SCHEMBL1616641 0.81 SELL (0.62) SELLSELPALDH1A1ALOX15HDAC1
SCHEMBL9491417 0.80 ALDH1A1 (0.48) SELLSELPALDH1A1ALOX15CA1
SCHEMBL5298121 0.80 SELL (0.46) SELLSELPALDH1A1ALOX15HDAC1
SCHEMBL9491141 0.78 ALDH1A1 (0.35) SELLSELPALDH1A1ALOX15CA1
SCHEMBL8345529 0.77 SELL (0.41) SELLSELPALDH1A1ALOX15HDAC1
SCHEMBL8904804 0.75 ALDH1A1 (0.48) ALDH1A1ALOX15CES2
SCHEMBL28842145 0.74 SELL (0.48) SELLSELPALDH1A1ALOX15HDAC1
SCHEMBL1435291 0.74 ALDH1A1 (0.50) SELLSELPALDH1A1ALOX15CA1
SCHEMBL14439361 0.73 ALDH1A1 (0.42) SELLSELPALDH1A1CA1CA2

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-5264613-A Process for preparing ester of hydroxymethylbenzocyclobutenes THE DOW CHEMICAL COMPANY (US) 1993-11-23 US disclosed