SCHEMBL14378449

SCHEMBL14378449

C=C(C)C(=O)OCC(CCCCCC(C)CC(=C)C(=O)OCCCCC)OCCC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.52
▸ POLB P06746 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ACE2 Q9BYF1 1/20 0.32
▸ TLR2 O60603 4/20 0.32
▸ NAAA Q02083 1/20 0.31
▸ FAAH O00519 1/20 0.31
▸ HCAR2 Q8TDS4 1/20 0.31
▸ RAD52 P43351 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ LPAR1 Q92633 1/20 0.30
▸ LPAR3 Q9UBY5 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
SCHEMBL17100041 0.83 TSHR (0.61) TSHRPOLBAPEX1HTTTDP1
SCHEMBL3921103 0.83 TSHR (0.56) TSHRACE2NAAAFAAHHCAR2
SCHEMBL16328964 0.81 TSHR (0.50) TSHRPOLBAPEX1HTTTDP1
SCHEMBL31180298 0.81 TSHR (0.71) TSHRPOLBAPEX1HTTTDP1
SCHEMBL651327 0.79 TSHR (0.77) TSHRPOLBAPEX1HTTTDP1
SCHEMBL651728 0.79 TSHR (0.77) TSHRPOLBAPEX1HTTTDP1
SCHEMBL866131 0.79 TSHR (0.77) TSHRPOLBAPEX1HTTTDP1
SCHEMBL2030893 0.79 TSHR (0.63) TSHRPOLBAPEX1HTTTDP1
SCHEMBL4901230 0.76 TSHR (0.67) TSHRPOLBAPEX1HTTTDP1
SCHEMBL10001565 0.76 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1

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
WO-2007134219-A2 IN SITU POLYMERIZATION FOR SKIN TREATMENT LIVING PROOF, INC. (US) 2007-11-22 — — WO disclosed
WO-2007127065-A2 IN SITU POLYMERIZATION FOR HAIR TREATMENT LIVING PROOF, INC. (US) 2007-11-08 — — WO disclosed
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