SCHEMBL28313256

SCHEMBL28313256

CC(C)(C(=O)O)C(CCC(F)(F)F)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
HSPD1 P10809 1/20 0.32
BLM P54132 1/20 0.32
HSPE1 P61604 1/20 0.32
NOS2 P35228 3/20 0.31
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31

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
SCHEMBL20915649 0.78 NOS2 (0.31) NOS2NOS3NOS1
SCHEMBL7416828 0.77 GABRR1 (0.46) HSPD1BLMHSPE1
SCHEMBL5936784 0.75 CHRM1 (0.33) HSPD1BLMHSPE1NOS2NOS3
SCHEMBL27565769 0.75 ENPEP (0.37) HSPD1BLMHSPE1
SCHEMBL30219802 0.73 FOLH1 (0.43) HSPD1BLMHSPE1
SCHEMBL15821811 0.73 CA2 (0.38) HSPD1BLMHSPE1
SCHEMBL10768989 0.72 HSPD1 (0.60) HSPD1BLMHSPE1
SCHEMBL27674989 0.71 TSHR (0.33) HSPD1BLMHSPE1
SCHEMBL29704048 0.71 AAK1 (0.31) AAK1
SCHEMBL27430163 0.69 ENPEP (0.37) AAK1NOS2NOS3NOS1

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
CN-110036068-A Concentrate composition 巴塞尔聚烯烃意大利有限公司 2019-07-19 CN disclosed