SCHEMBL4646100

SCHEMBL4646100

CC(=O)C(=O)C(O)C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.38
DHODH Q02127 1/20 0.36
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MMP2 P08253 2/20 0.33
CA9 Q16790 2/20 0.33
TP53 P04637 1/20 0.33
ATM Q13315 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL20290147 0.80 EPHX1 (0.41) EPHX1DHODHCA12CA1CA2
SCHEMBL14611740 0.78 EPHX1 (0.44) EPHX1DHODHCA12CA1CA2
SCHEMBL8277386 0.78 EPHX1 (0.44) EPHX1DHODHCA12CA1CA2
SCHEMBL12071026 0.78 EPHX1 (0.44) EPHX1DHODHCA12CA1CA2
SCHEMBL4642026 0.74 EPHX1 (0.37) EPHX1DHODHCA12CA1CA2
SCHEMBL28772205 0.72 TP53 (0.42) EPHX1DHODHCA12CA1CA2
SCHEMBL16837771 0.72 EPHX1 (0.42) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL8031374 0.72 EPHX1 (0.42) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL4412203 0.72 EPHX1 (0.42) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL8894143 0.71 CES2 (0.46) EPHX1CA12CA1CA2MMP2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100519671-C Film-forming polymer and antifouling paint JOTUN AS (NO) 2009-07-29 CN disclosed
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
CN-1643085-A Film-forming polymer and antifouling paint JOTUN AS (NO) 2005-07-20 CN 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