Sugi Predict

Sugi Predict / Compounds / SCHEMBL5200874

SCHEMBL5200874

SCHEMBL5200874

CCCCC(C)C(C)(C)C(=O)Nc1ccc(F)c([Ti](C2=CC=CC2)(C2=CC=CC2)c2c(F)ccc(NC(=O)C(C)(C)C(C)CCCC)c2F)c1F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.34
▸ S1PR4 O95977 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ S1PR5 Q9H228 1/20 0.32
▸ POLB P06746 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
SCHEMBL5199658 0.97 EPHX2 (0.35) EPHX2S1PR4S1PR1S1PR3S1PR5
SCHEMBL5199814 0.91 EPHX2 (0.33) EPHX2S1PR4S1PR1S1PR3S1PR5
SCHEMBL5200167 0.88 EPHX2 (0.35) EPHX2S1PR4S1PR1S1PR3S1PR5
SCHEMBL483217 0.84 POLB (0.48) EPHX2POLB
SCHEMBL482923 0.83 MEN1 (0.40) EPHX2S1PR4S1PR1S1PR3S1PR5
SCHEMBL483140 0.83 EPHX2 (0.36) EPHX2S1PR4S1PR1S1PR3S1PR5
SCHEMBL483076 0.83 ALDH1A1 (0.43) EPHX2S1PR4S1PR1S1PR3S1PR5
SCHEMBL483118 0.82 KDM4E (0.35) EPHX2POLB
SCHEMBL482899 0.81 ALDH1A1 (0.39) EPHX2POLB
SCHEMBL269422 0.80 PDK1 (0.34) EPHX2

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-1728838-B1 Ink composition for ink jet-recording and method for preparing lithographic printing plate using the same FUJIFILM CORP (JP) 2007-08-15 — — EP disclosed
EP-1728838-A1 Ink composition for ink jet-recording and method for preparing lithographic printing plate using the same Fuji Photo Film Co., Ltd. (JP) 2006-12-06 — — EP disclosed