SCHEMBL4535518

SCHEMBL4535518

O=P(O)(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCS

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.58
LPAR3 Q9UBY5 3/20 0.56
LPAR2 Q9HBW0 1/20 0.56
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
NFKB1 P19838 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
ENPEP Q07075 1/20 0.46
BBOX1 O75936 2/20 0.42
S1PR2 O95136 5/20 0.40
S1PR4 O95977 5/20 0.40
S1PR1 P21453 5/20 0.40
S1PR3 Q99500 5/20 0.40
S1PR5 Q9H228 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL4520861 1.00 TYMS (0.58) TYMSLPAR3LPAR2LMNACYP3A4
SCHEMBL4524570 1.00 TYMS (0.58) TYMSLPAR3LPAR2LMNACYP3A4
SCHEMBL4532822 1.00 TYMS (0.58) TYMSLPAR3LPAR2LMNACYP3A4
SCHEMBL4528083 1.00 TYMS (0.58) TYMSLPAR3LPAR2LMNACYP3A4
SCHEMBL4529234 1.00 TYMS (0.58) TYMSLPAR3LPAR2LMNACYP3A4
SCHEMBL4531422 1.00 TYMS (0.58) TYMSLPAR3LPAR2LMNACYP3A4
SCHEMBL4526106 1.00 TYMS (0.58) TYMSLPAR3LPAR2LMNACYP3A4
SCHEMBL4517353 1.00 TYMS (0.58) TYMSLPAR3LPAR2LMNACYP3A4
SCHEMBL4532138 1.00 TYMS (0.58) TYMSLPAR3LPAR2LMNACYP3A4
SCHEMBL1899833 1.00 TYMS (0.58) TYMSLPAR3LPAR2LMNACYP3A4

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
US-20090123516-A1 DRUG DELIVERY FROM IMPLANTS USING SELF-ASSEMBLED MONOLAYERS-THERAPEUTIC SAMS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2009-05-14 US disclosed
WO-2007019478-A2 DRUG DELIVERY FROM IMPLANTS USING SELF-ASSEMBLED MONOLAYERS - THERAPEUTIC SAMS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-02-15 WO disclosed