SCHEMBL4516204

SCHEMBL4516204

O=C(O)CCCCCCCCCCCCCCCCCCCCCCCOP(=O)(O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
LPAR3 Q9UBY5 7/20 0.57
LPAR2 Q9HBW0 6/20 0.57
LPAR1 Q92633 4/20 0.57
TSHR P16473 3/20 0.52
LMNA P02545 2/20 0.52
NFKB1 P19838 1/20 0.52
PMP22 Q01453 1/20 0.52
GPR84 Q9NQS5 3/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
PPARG P37231 3/20 0.43
PPARD Q03181 3/20 0.43
PPARA Q07869 3/20 0.43
HDAC11 Q96DB2 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
TLR2 O60603 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL4520895 1.00 ALDH1A1 (0.59) ALDH1A1LPAR3LPAR2LPAR1TSHR
SCHEMBL4530011 1.00 ALDH1A1 (0.59) ALDH1A1LPAR3LPAR2LPAR1TSHR
SCHEMBL4517942 1.00 ALDH1A1 (0.59) ALDH1A1LPAR3LPAR2LPAR1TSHR
SCHEMBL4536430 1.00 ALDH1A1 (0.59) ALDH1A1LPAR3LPAR2LPAR1TSHR
SCHEMBL4525157 1.00 ALDH1A1 (0.59) ALDH1A1LPAR3LPAR2LPAR1TSHR
SCHEMBL4535481 1.00 ALDH1A1 (0.59) ALDH1A1LPAR3LPAR2LPAR1TSHR
SCHEMBL4529208 1.00 ALDH1A1 (0.59) ALDH1A1LPAR3LPAR2LPAR1TSHR
SCHEMBL4517953 1.00 ALDH1A1 (0.59) ALDH1A1LPAR3LPAR2LPAR1TSHR
SCHEMBL4536951 1.00 ALDH1A1 (0.59) ALDH1A1LPAR3LPAR2LPAR1TSHR
SCHEMBL4528491 1.00 ALDH1A1 (0.59) ALDH1A1LPAR3LPAR2LPAR1TSHR

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