SCHEMBL4526583

SCHEMBL4526583

O=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=S)S

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.63
LMNA P02545 3/20 0.63
NFKB1 P19838 1/20 0.63
PMP22 Q01453 1/20 0.63
GPR84 Q9NQS5 8/20 0.52
FFAR1 O14842 2/20 0.52
FFAR4 Q5NUL3 2/20 0.52
FOLH1 Q04609 1/20 0.52
PPARG P37231 6/20 0.50
PPARD Q03181 6/20 0.50
PPARA Q07869 6/20 0.50
HDAC11 Q96DB2 5/20 0.50
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 3/20 0.50
SLC22A6 Q4U2R8 2/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 2/20 0.50
FABP4 P15090 2/20 0.50
ALOX15 P16050 2/20 0.50

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
SCHEMBL4532056 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22GPR84
SCHEMBL4534863 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22GPR84
SCHEMBL4538796 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22GPR84
SCHEMBL4533145 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22GPR84
SCHEMBL4525184 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22GPR84
SCHEMBL4529817 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22GPR84
SCHEMBL4535619 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22GPR84
SCHEMBL4515561 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22GPR84
SCHEMBL4535409 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22GPR84
SCHEMBL4538328 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22GPR84

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