SCHEMBL9788248

SCHEMBL9788248

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.34
MAPT P10636 1/20 0.33
LDHA P00338 1/20 0.32
SRR Q9GZT4 1/20 0.32
KCNN4 O15554 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 2/20 0.30
TSHR P16473 1/20 0.30
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 1/20 0.30
MGAM O43451 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
SCHEMBL1661824 0.79 DGAT1 (0.44) DGAT1MAPTKCNN4ALDH1A1GAA
SCHEMBL9555721 0.72 KCNN4 (0.36) DGAT1MAPTLDHASRRKCNN4
SCHEMBL19886533 0.71 PKM (0.41) MAPTALDH1A1GAATSHRMGAM
SCHEMBL2097450 0.69 DGAT1 (0.44) DGAT1MAPTKCNN4ALDH1A1TSHR
SCHEMBL3202112 0.69 LDHA (0.38) DGAT1LDHASRRALDH1A1TSHR
SCHEMBL28706965 0.67 LDHA (0.42) LDHASRRTSHRHMGCRCHRM1
SCHEMBL5456770 0.67 GAA (0.38) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL28131764 0.67 LDHA (0.36) LDHASRRTSHRHMGCRCHRM1
SCHEMBL954279 0.66 LDHA (0.47) LDHASRRALDH1A1TSHRHMGCR
SCHEMBL8656249 0.66 TSHR (0.59) DGAT1LDHASRRKCNN4ALDH1A1

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