SCHEMBL8419637

SCHEMBL8419637

COC(=O)CCCc1ccc(C(N)CCCC(F)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
PTPRB P23467 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
MLYCD O95822 1/20 0.34
APP P05067 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
SPHK1 Q9NYA1 2/20 0.33
SPHK2 Q9NRA0 1/20 0.33

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
SCHEMBL8421824 0.92 EPHX2 (0.36) EPHX2PTPRBALDH1A1KMT2AADRB2
SCHEMBL8419697 0.92 EPHX2 (0.38) EPHX2PTPRBALDH1A1KMT2AADRB2
SCHEMBL8421751 0.91 EPHX2 (0.37) EPHX2PTPRBALDH1A1KMT2AADRB2
SCHEMBL8419602 0.89 EPHX2 (0.36) EPHX2PTPRBALDH1A1KMT2AADRB2
SCHEMBL8421488 0.88 FAAH (0.39) EPHX2MLYCDSPHK1SPHK2
SCHEMBL8421772 0.88 PTGER2 (0.43) EPHX2ALDH1A1KMT2AADRB2ADRB1
SCHEMBL8419326 0.86 EPHX2 (0.36) EPHX2PTPRBALDH1A1KMT2AADRB2
SCHEMBL8419503 0.85 EPHX2 (0.38) EPHX2ALDH1A1KMT2ACYP4F2CYP4A11
SCHEMBL8421474 0.85 EPHX2 (0.35) EPHX2PTPRBALDH1A1KMT2AADRB2
SCHEMBL8421136 0.85 ALDH1A1 (0.37) EPHX2PTPRBALDH1A1KMT2AADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0943606-A1 BENZENESULFONAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME HOKURIKU SEIYAKU CO., LTD. (JP) 1999-09-22 EP disclosed