SCHEMBL27900968

SCHEMBL27900968

C=C(C)C(=O)OCCCCCCC[CH]CCCCC

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.80
THRB P10828 1/20 0.47
NAAA Q02083 1/20 0.46
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HCAR2 Q8TDS4 2/20 0.44
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FAAH O00519 3/20 0.43
EPHX1 P07099 1/20 0.43
ALDH1A1 P00352 1/20 0.41
CES2 O00748 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL27883678 0.98 TSHR (0.77) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL5686970 0.97 TSHR (0.74) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL5686979 0.97 TSHR (0.74) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL27735819 0.95 TSHR (0.71) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL27932128 0.93 TSHR (0.69) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL16114400 0.93 TSHR (0.69) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL5836895 0.93 TSHR (0.67) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL9170446 0.93 TSHR (0.67) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL8699776 0.93 TSHR (0.67) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL9261227 0.90 TSHR (0.80) TSHRPOLBAPEX1NPSR1FAAH

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
CN-101385687-B One pack type dental adhesive composition SHOFU KK 2012-11-14 CN claimed
CN-101385687-B One pack type dental adhesive composition SHOFU KK 2012-11-14 CN disclosed