SCHEMBL28922189

SCHEMBL28922189

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TSHR P16473 2/20 0.40
PPARA Q07869 1/20 0.31
HPGD P15428 1/20 0.31
FFAR1 O14842 1/20 0.31
MAPT P10636 1/20 0.31
CYP19A1 P11511 1/20 0.31
RXRA P19793 1/20 0.31
PPARG P37231 1/20 0.31
OXER1 Q8TDS5 1/20 0.31
TRPA1 O75762 1/20 0.31
LMNA P02545 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
SCHEMBL19715971 0.77
SCHEMBL19715972 0.77
SCHEMBL14541957 0.75
SCHEMBL11747729 0.74
SCHEMBL29589563 0.74
SCHEMBL14136536 0.74
SCHEMBL3461463 0.74
SCHEMBL11838860 0.72
SCHEMBL11340584 0.71 TSHR (0.42) ALDH1A1TSHRHPGDMAPT
SCHEMBL2751659 0.71

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-109069945-B Process for recovering aldehydes obtained by hydroformylation of olefins in two columns with pressure increase 庄信万丰戴维科技有限公司 2022-11-22 CN disclosed