SCHEMBL5199489

SCHEMBL5199489

O=C(Nc1ccc(F)c([Ti](C2=CC=CC2)(C2=CC=CC2)c2c(F)ccc(NC(=O)Sc3ccccc3)c2F)c1F)Sc1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
ALPG P10696 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
EPHX2 P34913 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
SCHEMBL482491 0.83 RAB9A (0.44) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL483069 0.81 HDAC1 (0.39) ALPLALPIALPGTAS1R3TAS1R1
SCHEMBL483049 0.80 NPC1 (0.43) NPC1ALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL5201048 0.79 ALDH1A1 (0.40) ALDH1A1LMNAEPHX2
SCHEMBL482956 0.79 RAB9A (0.53) NPC1ALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL482982 0.79 HPGD (0.36) NPC1ALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL269422 0.78 PDK1 (0.34) ALPLALPIALPGNPC1EPHX2
SCHEMBL483079 0.78 HTT (0.47) ALPLALPIALPGNPC1EPHX2
SCHEMBL483118 0.78 KDM4E (0.35) ALPLALPIALPGNPC1ALDH1A1
SCHEMBL483279 0.78 ALPL (0.38) ALPLALPIALPGALDH1A1LMNA

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