SCHEMBL8169756

SCHEMBL8169756

NCCCOP(=O)(O)OP(=O)(O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITPR3 Q14573 1/20 0.53
ITPR1 Q14643 1/20 0.53
BTN3A1 O00481 3/20 0.50
MVD P53602 3/20 0.46
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
NFKB1 P19838 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
GGPS1 O95749 2/20 0.39
LPAR3 Q9UBY5 3/20 0.38
LPAR1 Q92633 2/20 0.38
LPAR2 Q9HBW0 2/20 0.38

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
SCHEMBL10880122 0.96 ITPR3 (0.50) ITPR3ITPR1BTN3A1MVDLMNA
SCHEMBL18798606 0.96 ITPR3 (0.50) ITPR3ITPR1BTN3A1MVDLMNA
SCHEMBL18798611 0.96 ITPR3 (0.50) ITPR3ITPR1BTN3A1MVDLMNA
SCHEMBL10878442 0.94 BTN3A1 (0.48) ITPR3ITPR1BTN3A1MVDLMNA
SCHEMBL8829466 0.92 BTN3A1 (0.47) ITPR3ITPR1BTN3A1MVDGGPS1
SCHEMBL10880174 0.90 BTN3A1 (0.46) ITPR3ITPR1BTN3A1MVDLMNA
SCHEMBL23845594 0.88 BTN3A1 (0.44) ITPR3ITPR1BTN3A1MVDGGPS1
SCHEMBL260134 0.88 BTN3A1 (0.44) ITPR3ITPR1BTN3A1MVDGGPS1
SCHEMBL3405906 0.88 BTN3A1 (0.44) ITPR3ITPR1BTN3A1MVDGGPS1
Putrescine SCHEMBL27732786 0.88 BTN3A1 (0.44) ITPR3ITPR1BTN3A1MVDLMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000074692-A1 A METHOD USING POTASSIUM DIHYDROGEN PHOSPHATE TO REDUCE CALCIFICATION OF TISSUE FREMANTLE HEART INSTITUTE PTY LTD (AU) 2000-12-14 WO disclosed
US-4615977-A AMINE DERIVATIVES PROMOTE GROWTH WITH LOW SERUM CONCENTRATIONS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1986-10-07 US disclosed
EP-0082974-B1 METHOD FOR THE CULTIVATION OF NORMAL DIPLOID CELLS AND CULTIVATION MEDIUM USED THEREFOR Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1986-05-14 EP disclosed
EP-0082974-A2 Method for the cultivation of normal diploid cells and cultivation medium used therefor Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-07-06 EP disclosed