SCHEMBL6553845

SCHEMBL6553845

CCCC(Cl)C(=O)C(=O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
POLB P06746 1/20 0.50
AKR1B1 P15121 1/20 0.47
CNR2 P34972 3/20 0.45
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
TSHR P16473 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC8 Q9BY41 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL6555596 0.81 CES2 (0.53) CES2CES1POLBAKR1B1CNR2
SCHEMBL106359 0.77 CES2 (0.57) CES2CES1POLBAKR1B1CNR2
SCHEMBL6554254 0.76 ALOX15 (0.47) TSHRMEN1KMT2AALDH1A1HPGD
SCHEMBL451546 0.74 CES1 (0.64) CES2CES1POLBAKR1B1CNR2
SCHEMBL6555354 0.74 CES1 (0.57) CES2CES1POLBAKR1B1CNR2
SCHEMBL27519936 0.73 CNR2 (0.56) CES2CES1POLBAKR1B1CNR2
SCHEMBL3728429 0.73 SLC6A2 (0.54) CES2CES1KMT2AALDH1A1HSD17B10
SCHEMBL5578486 0.72 CES2 (0.55) CES2CES1POLBAKR1B1CNR2
SCHEMBL9354945 0.72 KMT2A (0.53) MEN1KMT2AALDH1A1LMNA
SCHEMBL2120444 0.72 POLB (0.56) CES2CES1POLBCNR2FNTA

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-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