SCHEMBL7032156

SCHEMBL7032156

CC1CCC(C)(C)N(C(CCCCCCCC(=O)O)(C(=O)O)N2C(C)(C)CCC(C)C2(C)C)C1(C)C

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.31
TSHR P16473 5/20 0.31
LMNA P02545 1/20 0.31
NFKB1 P19838 1/20 0.31
PMP22 Q01453 1/20 0.31
SCD O00767 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
GPR84 Q9NQS5 7/20 0.30
PPARG P37231 7/20 0.30
PPARD Q03181 7/20 0.30
PPARA Q07869 7/20 0.30
HDAC11 Q96DB2 5/20 0.30
PTPN1 P18031 3/20 0.30
ALDH1A1 P00352 2/20 0.30
TLR2 O60603 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
FABP4 P15090 2/20 0.30
SLC22A6 Q4U2R8 1/20 0.30
SLC22A8 Q8TCC7 1/20 0.30

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
SCHEMBL561947 0.81 TSHR (0.36) TBXAS1TSHRLMNANFKB1PMP22
SCHEMBL6030551 0.79
SCHEMBL1937937 0.79 PPARG (0.40) TSHRSCDGPR84PPARGPPARD
SCHEMBL6030547 0.78 GPR84 (0.35) TSHRLMNASCDGPR84PPARG
Sebacic Acid SCHEMBL27730243 0.76 TSHR (0.38) TSHRLMNANFKB1PMP22GPR84
SCHEMBL9054086 0.76 TDP1 (0.33) TBXAS1TSHRLMNANFKB1PMP22
SCHEMBL9230299 0.76 TSHR (0.30) TSHRNFKB1
SCHEMBL6068503 0.75 TSHR (0.34) TSHRLMNANFKB1PMP22SCD
SCHEMBL6253569 0.72 ITGB3 (0.33) TBXAS1TSHRLMNANFKB1PMP22
SCHEMBL3065826 0.70 TBXAS1 (0.34) TBXAS1TSHRLMNANFKB1PMP22

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946663-B1 COATING COMPOSITIONS CONTAINING NON-AQUEOUS DISPERSED POLYMERS HAVING A HIGH GLASS TRANSITION TEMPERATURE DU PONT (US) 2003-03-19 EP disclosed
EP-0946663-A1 COATING COMPOSITIONS CONTAINING NON-AQUEOUS DISPERSED POLYMERS HAVING A HIGH GLASS TRANSITION TEMPERATURE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-10-06 EP disclosed
WO-1998027173-A1 COATING COMPOSITIONS CONTAINING NON-AQUEOUS DISPERSED POLYMERS HAVING A HIGH GLASS TRANSITION TEMPERATURE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-25 WO disclosed