SCHEMBL9637796

SCHEMBL9637796

CC(C)(OC(=O)CC(=O)O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33
TSHR P16473 2/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
ACLY P53396 2/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 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
SCHEMBL9637794 0.89 GAA (0.35) TSHRGAA
SCHEMBL28727601 0.84 LDHA (0.35) LDHASRRTSHRHMGCRCHRM1
SCHEMBL9056211 0.77 LDHA (0.40) LDHASRRTSHRACLY
SCHEMBL52738 0.77 MEN1 (0.42) LDHASRRTSHRHMGCRCHRM1
SCHEMBL7588762 0.77 LDHA (0.40) LDHASRRTSHRHMGCRCHRM1
SCHEMBL8639456 0.76
SCHEMBL8639457 0.76 ALOX15 (0.34)
Ammonia Solution, Strong SCHEMBL3971260 0.75 MEN1 (0.41) LDHASRRTSHRHMGCRCHRM1
SCHEMBL21406297 0.75 MEN1 (0.41) LDHASRRTSHRHMGCRCHRM1
Methane SCHEMBL17763563 0.75 MEN1 (0.41) LDHASRRTSHRHMGCRCHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0372816-B1 NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-07-29 EP disclosed
WO-1990006304-A1 NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1990-06-14 WO disclosed
EP-0372816-A1 Novel heterocyclic pesticidal compounds THE WELLCOME FOUNDATION LIMITED (GB) 1990-06-13 EP disclosed