SCHEMBL4521776

SCHEMBL4521776

O=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCP(=O)(O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.60
LMNA P02545 2/20 0.60
NFKB1 P19838 1/20 0.60
PMP22 Q01453 1/20 0.60
TYMS P04818 1/20 0.52
LPAR3 Q9UBY5 3/20 0.52
LPAR2 Q9HBW0 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GPR84 Q9NQS5 5/20 0.50
FFAR1 O14842 2/20 0.50
FFAR4 Q5NUL3 2/20 0.50
ALDH1A1 P00352 3/20 0.48
PPARG P37231 6/20 0.48
PPARD Q03181 6/20 0.48
PPARA Q07869 6/20 0.48
HDAC11 Q96DB2 5/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FABP4 P15090 2/20 0.48
PTPN1 P18031 2/20 0.48

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
SCHEMBL4533111 1.00 TSHR (0.60) TSHRLMNANFKB1PMP22TYMS
SCHEMBL4534661 1.00 TSHR (0.60) TSHRLMNANFKB1PMP22TYMS
SCHEMBL4535332 1.00 TSHR (0.60) TSHRLMNANFKB1PMP22TYMS
SCHEMBL4533190 1.00 TSHR (0.60) TSHRLMNANFKB1PMP22TYMS
SCHEMBL4527282 1.00 TSHR (0.60) TSHRLMNANFKB1PMP22TYMS
SCHEMBL4536540 1.00 TSHR (0.60) TSHRLMNANFKB1PMP22TYMS
SCHEMBL4531743 1.00 TSHR (0.60) TSHRLMNANFKB1PMP22TYMS
SCHEMBL2519566 1.00 TSHR (0.60) TSHRLMNANFKB1PMP22TYMS
SCHEMBL2939530 1.00 TSHR (0.60) TSHRLMNANFKB1PMP22TYMS
SCHEMBL20835969 1.00 TSHR (0.60) TSHRLMNANFKB1PMP22TYMS

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