SCHEMBL10639773

SCHEMBL10639773

COC(=O)CCCOC=O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
LMNA P02545 4/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
GLA P06280 1/20 0.37
OXER1 Q8TDS5 1/20 0.37
EPHX2 P34913 1/20 0.37
HSD17B10 Q99714 2/20 0.36
HTT P42858 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36

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
SCHEMBL1100760 0.94 TSHR (0.56) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL10798402 0.92 TSHR (0.54) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL5851712 0.92 TSHR (0.54) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL12659255 0.92 TSHR (0.54) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL5143791 0.86
SCHEMBL17208538 0.81 TSHR (0.42) TSHRLMNAALDH1A1MAPTKMT2A
SCHEMBL7772507 0.81 TSHR (0.56) TSHRLMNAALDH1A1MAPTKMT2A
SCHEMBL14942516 0.80 TSHR (0.45) TSHRLMNAALDH1A1MAPTKMT2A
SCHEMBL27799112 0.79 TSHR (0.54) TSHRLMNAALDH1A1MAPTKMT2A
SCHEMBL7276581 0.79 CYP1A2 (0.53) TSHRALDH1A1KMT2AEPHX2HSD17B10

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
EP-0137145-B1 NEW CAMPTOTHECIN DERIVATIVES AND PROCESS FOR PREPARING SAME KABUSHIKI KAISHA YAKULT HONSHA (JP) 1988-04-27 EP disclosed