SCHEMBL6789536

SCHEMBL6789536

O=CC(=O)ON(Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2cccc3c2oc2ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.38
GGPS1 O95749 1/20 0.38
VKORC1 Q9BQB6 1/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP4B1 P13584 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP3A5 P20815 1/20 0.35
CYP2A7 P20853 1/20 0.35
CYP3A7 P24462 1/20 0.35
CYP2F1 P24903 1/20 0.35
CYP2C18 P33260 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP2J2 P51589 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
SCHEMBL1239482 0.80 SERPINE1 (0.47) ALOX5GGPS1VKORC1CYP1A1CYP1A2
SCHEMBL1852378 0.78 ALOX5 (0.42) ALOX5GGPS1VKORC1CYP1A1CYP1A2
SCHEMBL1854363 0.77 GGPS1 (0.38) ALOX5GGPS1VKORC1HDAC8
SCHEMBL4313213 0.76 ALOX5 (0.38) ALOX5GGPS1VKORC1CYP1A1CYP1A2
SCHEMBL4324770 0.75 ALOX5 (0.46) ALOX5GGPS1VKORC1CYP1A1CYP1A2
SCHEMBL5046221 0.74 ALOX5 (0.47) ALOX5GGPS1VKORC1CYP1A1CYP1A2
SCHEMBL4313217 0.71 MTTP (0.38) ALOX5GGPS1VKORC1CYP1A1CYP1A2
SCHEMBL6721473 0.71 ALOX5 (0.42) ALOX5GGPS1VKORC1CYP1A1CYP1A2
SCHEMBL16883114 0.70 ALOX5 (0.46) ALOX5GGPS1VKORC1CYP1A1CYP1A2
SCHEMBL5048898 0.70 ALOX5 (0.43) ALOX5GGPS1VKORC1CYP1A1CYP1A2

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-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO disclosed