SCHEMBL7943691

SCHEMBL7943691

CC(O)CNCCCCCCCCCCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.50
PRMT1 Q99873 1/20 0.48
TSHR P16473 5/20 0.46
LMNA P02545 1/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
GPR84 Q9NQS5 7/20 0.43
PPARG P37231 7/20 0.43
PPARD Q03181 7/20 0.43
PPARA Q07869 7/20 0.43
HDAC11 Q96DB2 5/20 0.43
PTPN1 P18031 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
FABP4 P15090 2/20 0.43
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 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
SCHEMBL16663915 1.00 ADRA1A (0.50) ADRA1APRMT1TSHRLMNANFKB1
Adipic Acid SCHEMBL14965585 0.88 LMNA (0.50) TSHRLMNANFKB1PMP22GPR84
SCHEMBL6014602 0.86 ADRA1A (0.52) ADRA1APRMT1TSHRLMNANFKB1
SCHEMBL6516711 0.84 ADRA1A (0.48) ADRA1APRMT1TSHRLMNANFKB1
SCHEMBL7179855 0.84 KDM4E (0.41) LMNAALDH1A1TDP1MEN1KMT2A
SCHEMBL1001731 0.83 PKM (0.46) TSHRLMNAALDH1A1TDP1MEN1
Palmitic Acid SCHEMBL28486893 0.83 GPR84 (0.63) TSHRLMNAGPR84PPARGPPARD
Myristic Acid SCHEMBL16667241 0.83 GPR84 (0.63) TSHRLMNAGPR84PPARGPPARD
Stearic Acid SCHEMBL8460661 0.83 GPR84 (0.63) TSHRLMNAGPR84PPARGPPARD
Decanoic Acid SCHEMBL16667134 0.83 GPR84 (0.63) TSHRLMNAGPR84PPARGPPARD

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-6299892-B1 INCORPORATING INTO DELIVERY VEHICLES SUITABLE FOR EFFECTING DESIRED ANTIMICROBIAL USE, SOAPS AND DETERGENTS SCHMITZ ROBERT A (US) 2001-10-09 US disclosed