SCHEMBL4642026

SCHEMBL4642026

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.37
ATM Q13315 1/20 0.35
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
MMP2 P08253 2/20 0.32
CA9 Q16790 2/20 0.32
DHODH Q02127 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
MAPT P10636 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP3A4 P08684 1/20 0.30
EPHX2 P34913 1/20 0.30
SHBG P04278 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
SCHEMBL4646100 0.74 EPHX1 (0.38) EPHX1ATMCA12CA1CA2
SCHEMBL23042508 0.73 EPHX1 (0.41) EPHX1ATMALDH1A1CYP2C9CYP2C19
SCHEMBL5275955 0.73 EPHX1 (0.46) EPHX1ATMCA12CA1CA2
SCHEMBL28708526 0.72
SCHEMBL9754311 0.71 EPHX1 (0.44) EPHX1ATMCA12CA1CA2
SCHEMBL9708685 0.71 EPHX1 (0.44) EPHX1ATMALDH1A1CYP2C9CYP2C19
SCHEMBL23042507 0.71 EPHX1 (0.56) EPHX1ALDH1A1
SCHEMBL28593465 0.70 SLC6A3 (0.46) EPHX1ATMCA12CA1CA2
SCHEMBL2651568 0.69
SCHEMBL29013509 0.69

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