SCHEMBL7573933

SCHEMBL7573933

CCOC(=O)c1ccc(Cl)c(Cl)c1CBr

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.60
CYP4A11 Q02928 1/20 0.60
TSHR P16473 1/20 0.47
METTL3 Q86U44 1/20 0.45
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
CA7 P43166 2/20 0.44
CA14 Q9ULX7 2/20 0.44
PLK1 P53350 1/20 0.43
BAZ2B Q9UIF8 1/20 0.42
BAZ2A Q9UIF9 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL24718682 0.86 CYP4F2 (0.51) CYP4F2CYP4A11TSHRMETTL3CA12
SCHEMBL8729880 0.86 CYP4F2 (0.58) CYP4F2CYP4A11TSHRMETTL3CA12
SCHEMBL31636717 0.84 ABL1 (0.42) CYP4F2CYP4A11TSHRCA12CA1
SCHEMBL27259744 0.82 CYP4F2 (0.55) CYP4F2CYP4A11TSHRMETTL3CA12
SCHEMBL2601357 0.81 CYP4F2 (0.56) CYP4F2CYP4A11TSHRMETTL3CA12
SCHEMBL8724617 0.81 CYP4F2 (0.46) CYP4F2CYP4A11TSHRMETTL3CA12
SCHEMBL7582549 0.80 CYP4F2 (0.54) CYP4F2CYP4A11TSHRMETTL3CA12
SCHEMBL11471582 0.79 CYP4F2 (0.53) CYP4F2CYP4A11TSHRMETTL3CA12
SCHEMBL22261525 0.78 TSHR (0.47) CYP4F2CYP4A11TSHRCA12CA1
SCHEMBL8495887 0.78 CYP4F2 (0.51) CYP4F2CYP4A11TSHRMETTL3CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0609798-B1 4-Benzoyl isoxazoles and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-02 EP disclosed
EP-0625505-B1 2-Cyano-1,3-dione derivatives and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1998-10-28 EP disclosed
US-5374606-A Pre- and postemergence RHONE-POULENC AGRICULTURE LIMITED (GB) 1994-12-20 US disclosed
EP-0625505-A2 2-Cyano-1,3-dione derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-11-23 EP disclosed
EP-0609798-A1 4-Benzoyl isoxazoles and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-08-10 EP disclosed
US-4218464-A 4- and 5-Substituted 2,3-dihydro-1H-isoindoles, pharmaceutical compositions and method of inhibiting phenylethanolamine N-methyltransferase SMITHKLINE CORPORATION (US) 1980-08-19 US disclosed