SCHEMBL6253569

SCHEMBL6253569

CC1CCN(C(CCCCCCCC(=O)O)(C(=O)O)N2CCC(C)C(C)(C)C2(C)C)C(C)(C)C1(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
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
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
SCHEMBL29449502 0.81 ALOX5 (0.39) TSHRSCDGPR84PPARGPPARD
SCHEMBL6254971 0.77 CYP1A2 (0.35) TBXAS1TSHRLMNANFKB1PMP22
SCHEMBL7032156 0.72 TBXAS1 (0.31) ITGB3ITGA2BTBXAS1TSHRLMNA
SCHEMBL8086739 0.69 HRH3 (0.36) ITGB3ITGA2BTBXAS1TSHRLMNA
SCHEMBL561947 0.67 TSHR (0.36) TBXAS1TSHRLMNANFKB1PMP22
SCHEMBL869253 0.67 TSHR (0.36) TBXAS1TSHRLMNANFKB1PMP22
SCHEMBL1908068 0.65 CYP1A2 (0.46) TSHRLMNANFKB1PMP22GPR84
Sebacic Acid SCHEMBL28950005 0.62 HRH3 (0.39) TSHRLMNANFKB1PMP22GPR84
Sebacic Acid SCHEMBL10624623 0.62 TSHR (0.44) TSHRLMNANFKB1PMP22GPR84
SCHEMBL557138 0.61 TSHR (0.40) TSHRLMNANFKB1PMP22SCD

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
US-9404017-B2 Active-energy-ray-curable hot-melt urethane resin composition, member for electronic device, the member including the resin composition, and packing DIC CORPORATION (JP) 2016-08-02 US disclosed
US-20130158149-A1 ACTIVE-ENERGY-RAY-CURABLE HOT-MELT URETHANE RESIN COMPOSITION, MEMBER FOR ELECTRONIC DEVICE, THE MEMBER INCLUDING THE RESIN COMPOSITION, AND PACKING DIC CORPORATION (JP) 2013-06-20 US disclosed
WO-2005058565-A1 USE OF BENZOTRIAZOLE DERIVATIVES FOR LIGHT-STABILIZING WOODEN SUBSTRATES Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2005-06-30 WO disclosed