SCHEMBL8419503

SCHEMBL8419503

COC(=O)CCCc1ccc(C(N)CCCCCF)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
SPHK1 Q9NYA1 5/20 0.37
SPHK2 Q9NRA0 1/20 0.37
SLC2A1 P11166 1/20 0.36
PTGER2 P43116 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 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
SCHEMBL8421753 0.87 PTGER2 (0.47) EPHX2PTGER2ALDH1A1KMT2A
SCHEMBL8421751 0.85 EPHX2 (0.37) EPHX2SPHK1ALDH1A1KMT2ACYP4F2
SCHEMBL8419637 0.85 EPHX2 (0.37) EPHX2SPHK1SPHK2ALDH1A1KMT2A
SCHEMBL8421824 0.84 EPHX2 (0.36) EPHX2ALDH1A1KMT2A
SCHEMBL8419697 0.84 EPHX2 (0.38) EPHX2ALDH1A1KMT2ACYP4F2CYP4A11
SCHEMBL9237067 0.84 CA12 (0.42) EPHX2ALDH1A1
SCHEMBL8419602 0.82 EPHX2 (0.36) EPHX2SPHK1SPHK2ALDH1A1KMT2A
SCHEMBL8421136 0.82 ALDH1A1 (0.37) EPHX2PTGER2ALDH1A1KMT2ACYP4F2
SCHEMBL9236137 0.81 HDAC3 (0.43) EPHX2
SCHEMBL8421488 0.81 FAAH (0.39) EPHX2S1PR2S1PR1S1PR3SPHK1

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