SCHEMBL28070396

SCHEMBL28070396

CCC(CO)CCC(O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
LMNA P02545 2/20 0.38
TSHR P16473 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
TRPA1 O75762 1/20 0.34

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
SCHEMBL11310510 0.86 ALDH1A1 (0.58) ALDH1A1LMNATSHRTDP1TRPA1
SCHEMBL2380019 0.82 ALDH1A1 (0.68) ALDH1A1LMNATSHRTDP1TRPA1
SCHEMBL4884774 0.81 LMNA (0.54) ALDH1A1LMNATRPA1
SCHEMBL11313960 0.80 ALDH1A1 (0.50) ALDH1A1LMNATSHRTDP1TRPA1
SCHEMBL427001 0.80 ALDH1A1 (0.54) ALDH1A1LMNATSHRTDP1TRPA1
SCHEMBL7705881 0.77 ALDH1A1 (0.56) ALDH1A1LMNATSHRTDP1TRPA1
SCHEMBL15354042 0.77 ALDH1A1 (0.56) ALDH1A1LMNATSHRTDP1TRPA1
SCHEMBL4881462 0.76 ALDH1A1 (0.50) ALDH1A1LMNATSHRTDP1TRPA1
SCHEMBL620985 0.76 ALDH1A1 (0.39) ALDH1A1LMNATSHRTDP1TRPA1
SCHEMBL5186832 0.76 ALDH1A1 (0.39) ALDH1A1LMNATSHRTDP1TRPA1

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-103894332-B Coating composition and method of forming layered coating film KANSAI COATING CO., LTD. (JP) 2016-05-25 CN disclosed