SCHEMBL28548712

SCHEMBL28548712

CC(C)=CCCC1=CCC(c2cc(C)ccc2S(=O)(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 1/20 0.41
FNTA P49354 2/20 0.37
PKM P14618 1/20 0.37
PGGT1B P53609 1/20 0.37
MCL1 Q07820 11/20 0.36
BCL2L1 Q07817 6/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
CHRNA7 P36544 1/20 0.34
STAT3 P40763 1/20 0.34
BCL2 P10415 7/20 0.34
FNTB P49356 1/20 0.34
BID P55957 2/20 0.32
BAK1 Q16611 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
SCHEMBL30229702 0.89 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTFNTA
SCHEMBL9101971 0.72 PTGDR2 (0.39) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9414338 0.72 MEN1 (0.40) ALDH1A1MEN1KMT2AMAPTFNTA
SCHEMBL3387056 0.70 PTGDR2 (0.36) ALDH1A1MEN1KMT2AMAPT
SCHEMBL28548711 0.70 CYP2D6 (0.43) ALDH1A1MEN1KMT2AMAPTFNTA
SCHEMBL30764027 0.69 PTGDR2 (0.43) SMN1; SMN2
SCHEMBL5278348 0.69 PTGDR2 (0.47) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL16712212 0.69 CHRNB2 (0.43) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL361128 0.68 PTGDR2 (0.49) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2217850 0.68 PTGDR2 (0.46) ALDH1A1MEN1KMT2AMAPTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112646589-B Liquid crystal compound and application thereof 晶美晟光电材料(南京)有限公司 2023-03-31 CN disclosed
CN-112707798-B Preparation method of liquid crystal compound containing citrus greening alcohol-based methoxy idene bridge connecting group 晶美晟光电材料(南京)有限公司 2023-03-28 CN disclosed
CN-112707798-A Preparation method of liquid crystal compound containing citrus greening alcohol-based methoxy idene bridge connecting group 晶美晟光电材料(南京)有限公司 2021-04-27 CN disclosed
CN-112646589-A Liquid crystal compound and application thereof 晶美晟光电材料(南京)有限公司 2021-04-13 CN disclosed