SCHEMBL19732871

SCHEMBL19732871

CCCCCCC/C(Nc1ccccc1)=C(\C)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.56
SOAT1 P35610 1/20 0.56
EPHX1 P07099 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HTT P42858 1/20 0.54
ICMT O60725 1/20 0.52
ALB P02768 1/20 0.52
HDAC8 Q9BY41 6/20 0.50
HDAC3 O15379 5/20 0.50
HDAC6 Q9UBN7 4/20 0.50
HDAC1 Q13547 4/20 0.50
HDAC2 Q92769 4/20 0.50
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
TUBB4A P04350 2/20 0.48
TUBB P07437 2/20 0.48
TUBA3C P0DPH7 2/20 0.48
TUBA1B P68363 2/20 0.48
TUBA4A P68366 2/20 0.48

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
SCHEMBL6426292 0.80 NAPRT (0.53) EPHX1ALDH1A1MEN1GAAKMT2A
SCHEMBL8743155 0.79 SOAT2 (0.82) SOAT2SOAT1ALDH1A1ICMTALB
SCHEMBL8743007 0.79 SOAT2 (0.82) SOAT2SOAT1ALDH1A1ICMTALB
Hexadecanoic Acid Phenylamide SCHEMBL4138725 0.79 SOAT2 (0.82) SOAT2SOAT1ALDH1A1ICMTALB
SCHEMBL541399 0.79 SOAT2 (0.82) SOAT2SOAT1ALDH1A1ICMTALB
SCHEMBL9388173 0.79 SOAT2 (0.82) SOAT2SOAT1ALDH1A1ICMTALB
SCHEMBL8743085 0.79 SOAT2 (0.82) SOAT2SOAT1ALDH1A1ICMTALB
SCHEMBL8743011 0.79 SOAT2 (0.82) SOAT2SOAT1ALDH1A1ICMTALB
SCHEMBL8743258 0.79 SOAT2 (0.82) SOAT2SOAT1ALDH1A1ICMTALB
SCHEMBL8742971 0.79 SOAT2 (0.82) SOAT2SOAT1ALDH1A1ICMTALB

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
EP-3475260-B1 COMPOUNDS FOR USE AS AN ANTI-BACTERIAL OR ANTI-FUNGAL AGENT AND AS A ZINC SENSOR UNIV KONSTANZ (DE) 2022-03-30 EP disclosed
EP-3260445-A1 COMPOUNDS FOR USE AS AN ANTI-BACTERIAL OR ANTI-FUNGAL AGENT AND AS A ZINC SENSOR Universität Konstanz (DE) 2017-12-27 EP disclosed