SCHEMBL9788243

SCHEMBL9788243

COC(=O)CC(=O)C(C(C)=O)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.46
GAA P10253 2/20 0.46
SI P14410 2/20 0.46
MGAM2 Q2M2H8 2/20 0.46
TSHR P16473 4/20 0.39
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 4/20 0.34
ALOX15 P16050 1/20 0.34
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TET2 Q6N021 1/20 0.30
CA14 Q9ULX7 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL10485422 0.80 CA1 (0.36) MGAMGAASIMGAM2TSHR
SCHEMBL10371847 0.79 MGAM (0.38) MGAMGAASIMGAM2TSHR
SCHEMBL23803859 0.78 CA1 (0.36) MGAMGAASIMGAM2TSHR
SCHEMBL932950 0.78 SMN1; SMN2 (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL1335337 0.78 SMN1; SMN2 (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL4727242 0.77 CA1 (0.38) TSHRHSD17B10SMN1; SMN2ALDH1A1ALOX15
SCHEMBL12275519 0.75 MGAM (0.43) MGAMGAASIMGAM2TSHR
SCHEMBL1549381 0.75 TSHR (0.33) TSHRHSD17B10SMN1; SMN2ALDH1A1ALOX15
SCHEMBL31201800 0.75 MGAM (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL28040053 0.74 CA1 (0.44) ALDH1A1CA1CA2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5062880-A Male plant sterility MONSANTO COMPANY (US) 1991-11-05 US disclosed
US-4732603-A ANTIFERTILITY AGENTS ROHM AND HAAS COMPANY (US) 1988-03-22 US disclosed
EP-0049971-B1 SUBSTITUTED PYRIDAZINES, PROCESSES FOR MAKING THEM, THEIR USE AS PLANT GROWTH REGULATORS, AND PLANT GROWTH REGULATING COMPOSITIONS CONTAINING THEM ROHM AND HAAS COMPANY (US) 1987-04-08 EP disclosed
EP-0049971-A1 Substituted pyridazines, processes for making them, their use as plant growth regulators, and plant growth regulating compositions containing them ROHM AND HAAS COMPANY (US) 1982-04-21 EP disclosed