SCHEMBL4643655

SCHEMBL4643655

CC(=O)OC(=O)CCC[CH]Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.45
ALDH1A1 P00352 4/20 0.41
TRPV1 Q8NER1 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
KMT2A Q03164 2/20 0.35
EPHX2 P34913 2/20 0.35
HDAC3 O15379 1/20 0.35
MAPK1 P28482 1/20 0.35
ADRA1A P35348 1/20 0.35
HDAC4 P56524 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 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
SCHEMBL4642099 0.91 ALDH1A1 (0.43) TOP1ALDH1A1TRPV1TDP1KMT2A
SCHEMBL4642129 0.81 ALDH1A1 (0.46) TOP1ALDH1A1TDP1KMT2AMAPK1
SCHEMBL28092341 0.79 HDAC1 (0.58) ALDH1A1TDP1KMT2AHDAC3MAPK1
SCHEMBL11647238 0.76 PAM (0.45) TOP1TDP1HDAC3HDAC4HDAC1
SCHEMBL466545 0.75 TDP1 (0.63) ALDH1A1TRPV1TDP1KMT2AHDAC3
SCHEMBL6279310 0.74 TDP1 (0.61) ALDH1A1TRPV1TDP1KMT2AHDAC2
SCHEMBL9349678 0.74 TOP1 (0.62) TOP1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL27384314 0.73 MAOB (0.50) TOP1ALDH1A1TDP1KMT2AMAPK1
SCHEMBL248114 0.71 TSHR (0.58) ALDH1A1KMT2AMAPK1SMN1; SMN2HDAC8
SCHEMBL8594687 0.71 TOP1 (0.58) TOP1ALDH1A1HDAC3MAPK1ADRA1A

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
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed