SCHEMBL7106250

SCHEMBL7106250

CCOC(=O)CN(C)c1c(Cl)cc(CCO)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 5/20 0.48
CYP4A11 Q02928 5/20 0.48
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
NLRP3 Q96P20 1/20 0.33
LTA4H P09960 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
KAT2B Q92831 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7103171 0.87 CA12 (0.40) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL7105765 0.84 CYP4F2 (0.50) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL7106411 0.80 HIF1A (0.38) CYP4F2CYP4A11CA2SMN1; SMN2ALDH1A1
SCHEMBL7103029 0.77 CYP4F2 (0.62) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL8913104 0.75 NLRP3 (0.49) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL7107961 0.74 CYP4F2 (0.48) CYP4F2CYP4A11SMN1; SMN2TSHRALDH1A1
SCHEMBL7104876 0.73 ADRB3 (0.67)
SCHEMBL7104879 0.73 ADRB3 (0.67)
SCHEMBL7107054 0.72 CYP4F2 (0.41) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL2949925 0.71 ALDH1A1 (0.45) CA12CA1CA2CA9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1043308-B1 PHENYLAMINOALKYLCARBOXYLIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2003-09-24 EP disclosed
US-6353025-B1 COMPOUNDS AS DRUGS KISSEI PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US disclosed
EP-1043308-A1 PHENYLAMINOALKYLCARBOXYLIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2000-10-11 EP disclosed