SCHEMBL28169751

SCHEMBL28169751

CCCCOC1=CCC(=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
CRBN Q96SW2 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
KMT2A Q03164 3/20 0.33
NPC1 O15118 2/20 0.33
POLB P06746 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
TSHR P16473 1/20 0.33
PABPC1 P11940 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
LTA4H P09960 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
SCHEMBL28285843 0.76
SCHEMBL10248293 0.73 LMNA (0.36) LMNACRBNNPY1RNPY2RKMT2A
SCHEMBL21891260 0.71 AHR (0.35) LMNACA12CA1CA2CA7
SCHEMBL9499471 0.71 LTA4H (0.35) KMT2ATSHRLTA4HMEN1ALDH1A1
Formaldehyde SCHEMBL27453434 0.70 MEN1 (0.34) LMNACRBNNPY1RNPY2RKMT2A
SCHEMBL7057550 0.69 TSHR (0.38) KMT2ATSHRLTA4HMEN1ALDH1A1
SCHEMBL6160683 0.68 TSHR (0.40) KMT2ATSHRLTA4HMEN1ALDH1A1
SCHEMBL6160680 0.68 TSHR (0.40) KMT2ATSHRLTA4HMEN1ALDH1A1
SCHEMBL9501290 0.68 TSHR (0.40) KMT2ATSHRLTA4HMEN1ALDH1A1
SCHEMBL10248266 0.67 KMT2A (0.42) LMNACRBNNPY1RNPY2RKMT2A

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-107109281-A Mixed phosphorous esters for lubricant applications 路博润公司 2017-08-29 CN disclosed