SCHEMBL12212987

SCHEMBL12212987

O=Cc1ccc(C2CCCCC2C=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRIM24 O15164 1/20 0.36
▸ TRIM33 Q9UPN9 1/20 0.36
▸ ALDH1A1 P00352 8/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP2A6 P11509 4/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ALDH5A1 P51649 1/20 0.34
▸ ABAT P80404 1/20 0.34
▸ RXRA P19793 2/20 0.33
▸ RARB P10826 1/20 0.33
▸ RARG P13631 1/20 0.33
▸ TYR P14679 1/20 0.31
▸ CYP2A13 Q16696 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 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
SCHEMBL7975876 0.81 KDM1A (0.42) —
SCHEMBL12208421 0.81 MEN1 (0.42) CYP2A6HSD17B10CYP2A13MEN1KMT2A
SCHEMBL20646429 0.77 SLC6A2 (0.51) ALDH1A1
SCHEMBL3438249 0.74 HDAC1 (0.46) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6737724 0.74 SLC6A2 (0.44) ALDH1A1KDM4ESMN1; SMN2ALDH5A1ABAT
SCHEMBL6741298 0.74 SLC6A2 (0.44) ALDH1A1KDM4ESMN1; SMN2ALDH5A1ABAT
SCHEMBL12213006 0.73 AKR1C3 (0.41) ALDH1A1ALDH5A1ABAT
Acrolein SCHEMBL6271087 0.73 MEN1 (0.39) MEN1KMT2A
SCHEMBL10740141 0.72 HTT (0.44) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL11678689 0.72 HTT (0.44) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2

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
US-20110250509-A1 SECONDARY BATTERY AND ELECTRONIC DEVICE SONY CORPORATION (JP) 2011-10-13 — — US disclosed
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