SCHEMBL19688993

SCHEMBL19688993

C=C1OCC(C(=O)NCC2(C)CC(NC(=O)C3COC(=C)O3)CC(C)(C)C2)O1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
HPGD P15428 2/20 0.31
POLB P06746 1/20 0.30
HTT P42858 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
SCHEMBL19688992 0.96 TSHR (0.48) TSHRTDP1ALDH1A1RAB9A
SCHEMBL15074769 0.88 TSHR (0.54) TSHRTDP1ALDH1A1RAB9AHPGD
SCHEMBL22605131 0.82 TSHR (0.46) TSHRTDP1
SCHEMBL15925795 0.82 TSHR (0.66) TSHRTDP1RAB9AHPGD
SCHEMBL15933759 0.80 TSHR (0.70) TSHRTDP1
SCHEMBL15933760 0.78 TSHR (0.52) TSHRTDP1
SCHEMBL22627334 0.71 TSHR (0.86) TSHRTDP1
SCHEMBL15925782 0.70 ALDH1A1 (0.44) TSHRALDH1A1
SCHEMBL19344489 0.70 TSHR (0.58) TSHRTDP1
SCHEMBL15925781 0.70 ALDH1A1 (0.46) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017207461-A1 USE OF COMPOUNDS HAVING N 2-OXO-1,3-DIOXOLANE-4-CARBOXAMIDE UNITS IN TWO-COMPONENT ADHESIVES BASF SE (DE) 2017-12-07 WO disclosed