SCHEMBL4534096

SCHEMBL4534096

O=C=NCCCCCCCCCCCCCCCCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.55
LMNA P02545 3/20 0.55
NFKB1 P19838 1/20 0.55
PMP22 Q01453 1/20 0.55
GPR84 Q9NQS5 8/20 0.46
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 2/20 0.46
HSD17B10 Q99714 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PPARG P37231 7/20 0.44
PPARD Q03181 7/20 0.44
PPARA Q07869 7/20 0.44
HDAC11 Q96DB2 5/20 0.44
ALDH1A1 P00352 3/20 0.44
PTPN1 P18031 3/20 0.44
TLR2 O60603 2/20 0.44

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
SCHEMBL4529725 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22GPR84
SCHEMBL4538830 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22GPR84
SCHEMBL4528856 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22GPR84
SCHEMBL4538876 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22GPR84
SCHEMBL4516537 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22GPR84
SCHEMBL4522248 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22GPR84
SCHEMBL4520459 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22GPR84
SCHEMBL4535747 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22GPR84
SCHEMBL4517251 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22GPR84
SCHEMBL4535190 1.00 TSHR (0.55) 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 1 patent. 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