SCHEMBL28369367

SCHEMBL28369367

CC(C)=C(C)CC1=CCCC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
ALOX15 P16050 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CXCR3 P49682 2/20 0.32
HPGD P15428 1/20 0.31
TSHR P16473 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
SCHEMBL7994833 0.82
SCHEMBL3647069 0.78
SCHEMBL9630730 0.77 GSTP1 (0.33) ALDH1A1ALOX15PKMSMN1; SMN2CXCR3
SCHEMBL66707 0.76 ALDH1A1 (0.42) ALDH1A1ALOX15PKMSMN1; SMN2CXCR3
SCHEMBL7991192 0.74 CXCR3 (0.42) ALDH1A1ALOX15PKMSMN1; SMN2CXCR3
SCHEMBL4635955 0.72 ALDH1A1 (0.40) ALDH1A1ALOX15PKMSMN1; SMN2CXCR3
SCHEMBL722436 0.72 ALDH1A1 (0.44) ALDH1A1ALOX15PKMSMN1; SMN2HPGD
SCHEMBL1691833 0.71
SCHEMBL7776189 0.71 ALDH1A1 (0.40) ALDH1A1ALOX15SMN1; SMN2HPGD
SCHEMBL11084524 0.71 ALDH1A1 (0.34) ALDH1A1

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-110760313-A Liquid crystal compound, liquid crystal composition, liquid crystal display element and liquid crystal display 石家庄诚志永华显示材料有限公司 2020-02-07 CN disclosed