SCHEMBL5201048

SCHEMBL5201048

CCCCSC(=O)Nc1ccc(F)c([Ti](C2=CC=CC2)(C2=CC=CC2)c2c(F)ccc(NC(=O)SCCCC)c2F)c1F

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
EPHX2 P34913 1/20 0.36
LMNA P02545 1/20 0.30

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
SCHEMBL482899 0.84 ALDH1A1 (0.39) ALDH1A1NPSR1EPHX2LMNA
SCHEMBL28741272 0.83 EPHX2 (0.40) ALDH1A1NPSR1EPHX2LMNA
SCHEMBL482917 0.82 EP300 (0.41) ALDH1A1NPSR1EPHX2LMNA
SCHEMBL483155 0.81 ALDH1A1 (0.38) ALDH1A1NPSR1EPHX2LMNA
SCHEMBL483279 0.81 ALPL (0.38) ALDH1A1NPSR1EPHX2LMNA
SCHEMBL482625 0.80 SMN1; SMN2 (0.35) ALDH1A1EPHX2LMNA
SCHEMBL17237546 0.80
SCHEMBL5199489 0.79 ALPL (0.32) ALDH1A1EPHX2LMNA
SCHEMBL5146287 0.79 ALDH1A1 (0.36) ALDH1A1NPSR1EPHX2LMNA
SCHEMBL482664 0.78 ALDH1A1 (0.42) ALDH1A1NPSR1EPHX2

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-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
US-20060268083-A1 Ink composition for ink jet-recording and method for preparing lithographic printing plate using the same FUJI PHOTO FILM CO., LTD. 2006-11-30 US disclosed