SCHEMBL4561801

SCHEMBL4561801

C=CCC(CCCC)OP([O])(=O)O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.40
SMPD1 P17405 3/20 0.39
TSHR P16473 2/20 0.34
S1PR2 O95136 5/20 0.33
S1PR1 P21453 5/20 0.33
S1PR3 Q99500 5/20 0.33
S1PR4 O95977 4/20 0.33
LAP3 P28838 2/20 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
SCHEMBL7154146 0.88 SMPD1 (0.47) FDPSSMPD1TSHRS1PR2S1PR1
SCHEMBL7262184 0.88 FDPS (0.41) FDPSSMPD1TSHRS1PR2S1PR1
SCHEMBL17292777 0.87 SMPD1 (0.46) FDPSSMPD1TSHRS1PR2S1PR1
SCHEMBL7267965 0.87 FDPS (0.40) FDPSSMPD1TSHRS1PR2S1PR1
SCHEMBL7251925 0.84 CYP3A4 (0.38) FDPSSMPD1TSHR
SCHEMBL8658641 0.82 SMPD1 (0.57) FDPSSMPD1S1PR2S1PR1S1PR3
SCHEMBL5585172 0.81 FDPS (0.36) FDPSSMPD1TSHRS1PR2S1PR1
SCHEMBL6787509 0.81 LPAR3 (0.35) FDPS
SCHEMBL17292778 0.81 FDPS (0.33) FDPSSMPD1TSHR
SCHEMBL6834907 0.81 FDPS (0.33) FDPSSMPD1TSHR

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
US-7635181-B2 Ink for ink jet-recording curable through irradiation with a radioactive ray and method for preparing lithographic printing plates using the same FUJIFILM CORPORATION (JP) 2009-12-22 US disclosed
US-20060139425-A1 Ink for ink jet-recording curable through irradiation with a radioactive ray and method for preparing lithographic printing plates using the same FUJI PHOTO FILM CO., LTD. 2006-06-29 US disclosed
EP-1666551-A1 Ink for ink jet-recording curable through irradiation and method for preparing lithographic printing plates using the same FUJI PHOTO FILM CO., LTD. (JP) 2006-06-07 EP disclosed