SCHEMBL9820094

SCHEMBL9820094

CCC(O)(O)OC(=O)CC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.35
SRR Q9GZT4 1/20 0.35
FFAR3 O14843 1/20 0.33
TSHR P16473 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL9820088 0.88 GAA (0.42) TSHRMGAMGAASIMGAM2
SCHEMBL2710907 0.81 LDHA (0.38) LDHASRRFFAR3TSHRMGAM
SCHEMBL2967817 0.79 LDHA (0.36) LDHASRRFFAR3TSHRMGAM
SCHEMBL620518 0.77 LDHA (0.35) LDHASRRFFAR3TSHRMGAM
SCHEMBL3929483 0.77 CYP2D6 (0.35) LDHASRRFFAR3TSHRMGAM
SCHEMBL10770038 0.76 LDHA (0.33) LDHASRRFFAR3TSHRMGAM
SCHEMBL10550164 0.76 LDHA (0.33) LDHASRRFFAR3TSHRMGAM
SCHEMBL4938475 0.76 LDHA (0.33) LDHASRRFFAR3TSHRMGAM
SCHEMBL9064548 0.75 ALOX15 (0.35)
SCHEMBL9064546 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0268460-B1 NEW PERCUTANEOUS ABSORPTION ENHANCERS, COMPOSITIONS CONTAINING SAME AND METHOD OF USE Macrochem Corporation (US) 1991-11-06 EP disclosed
EP-0268460-A1 New percutaneous absorption enhancers, compositions containing same and method of use Macrochem Corporation (US) 1988-05-25 EP disclosed