SCHEMBL8080804

SCHEMBL8080804

CC(=C/C1=C/CCCCCCCC1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.40
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
GSTP1 P09211 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
APEX1 P27695 8/20 0.32
CTSK P43235 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
PIN1 Q13526 1/20 0.30
ACMSD Q8TDX5 1/20 0.30

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
SCHEMBL156064 1.00 AKR1C3 (0.40) AKR1C3HDAC4HDAC2HDAC8HDAC6
SCHEMBL155075 1.00 AKR1C3 (0.40) AKR1C3HDAC4HDAC2HDAC8HDAC6
SCHEMBL155074 1.00 AKR1C3 (0.40) AKR1C3HDAC4HDAC2HDAC8HDAC6
SCHEMBL7994473 1.00 AKR1C3 (0.40) AKR1C3HDAC4HDAC2HDAC8HDAC6
SCHEMBL7994476 1.00 AKR1C3 (0.40) AKR1C3HDAC4HDAC2HDAC8HDAC6
SCHEMBL2937034 0.98 AKR1C3 (0.41) AKR1C3HDAC4HDAC2HDAC8HDAC6
SCHEMBL157888 0.98 AKR1C3 (0.41) AKR1C3HDAC4HDAC2HDAC8HDAC6
SCHEMBL154779 0.93 AKR1C3 (0.42) AKR1C3HDAC4HDAC2HDAC8HDAC6
Methacrylic Acid SCHEMBL29517035 0.90 AKR1C3 (0.36) AKR1C3HDAC4HDAC2HDAC8HDAC6
SCHEMBL11593878 0.85 HDAC4 (0.36) HDAC4HDAC2HDAC8HDAC6GSTP1

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-1029006-A1 AQUEOUS COMPOSITION COMPRISED OF A CARBONYL POLYMER DISPERSION, A PIGMENT, AND A POLYAMINE BASF AKTIENGESELLSCHAFT (DE) 2000-08-23 EP disclosed
WO-1999024514-A1 AQUEOUS COMPOSITION COMPRISED OF A CARBONYL POLYMER DISPERSION, A PIGMENT, AND A POLYAMINE BASF AKTIENGESELLSCHAFT (DE) 1999-05-20 WO disclosed