SCHEMBL10399689

SCHEMBL10399689

C=C(C)C(=O)OCCCCCCC(CCOC(=O)C(=C)C)COC(=O)C(=C)C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.57
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
THRB P10828 1/20 0.42
ALDH1A1 P00352 4/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
CYP3A4 P08684 3/20 0.32
ATM Q13315 1/20 0.32
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NAAA Q02083 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
SCHEMBL10399536 0.93 TSHR (0.61) TSHRTDP1POLBAPEX1HTT
SCHEMBL8900204 0.91 TSHR (0.54) TSHRTDP1POLBAPEX1HTT
SCHEMBL6757327 0.90 TSHR (0.59) TSHRTDP1POLBAPEX1HTT
SCHEMBL10399613 0.84 TSHR (0.50) TSHRTDP1POLBAPEX1HTT
SCHEMBL21853803 0.83 TSHR (0.61) TSHRTDP1THRBALDH1A1PRSS1
SCHEMBL21853812 0.83 TSHR (0.61) TSHRTDP1THRBALDH1A1PRSS1
SCHEMBL21853804 0.83 TSHR (0.61) TSHRTDP1THRBALDH1A1PRSS1
SCHEMBL21853805 0.83 TSHR (0.61) TSHRTDP1THRBALDH1A1PRSS1
SCHEMBL7082106 0.83 TSHR (0.61) TSHRTDP1THRBALDH1A1PRSS1
SCHEMBL17100046 0.83 TSHR (0.61) TSHRTDP1THRBALDH1A1PRSS1

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
US-4935488-A ALKYD RESINS, POLYESTERS, FILMS, COATINGS; PHOTOPOLYMERIZABLE UNSATURATED ESTERS; FAST CURING Kurary Company, Ltd. (JP) 1990-06-19 US claimed
EP-0338540-A2 Trimethylolheptanes and use thereof KURARAY CO., LTD. (JP) 1989-10-25 EP claimed