SCHEMBL28889763

SCHEMBL28889763

CC1C=C1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39
TSHR P16473 1/20 0.38
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
GFER P55789 1/20 0.36
USP2 O75604 1/20 0.36
THRB P10828 1/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL3154175 0.66 ALDH1A1 (0.37) ALDH1A1LMNAGRIN2DGRIN3BGRIN1
SCHEMBL2763437 0.65 LMNA (0.77) ALDH1A1LMNAGRIN2DGRIN3BGRIN1
SCHEMBL28299622 0.63 LMNA (0.43) ALDH1A1LMNAGRIN2DGRIN3BGRIN1
SCHEMBL3154180 0.63 ALDH1A1 (0.38) ALDH1A1LMNAGRIN2DGRIN3BGRIN1
SCHEMBL12040557 0.63 LMNA (0.57) ALDH1A1LMNAMEN1KMT2ATDP1
SCHEMBL5295731 0.62 LMNA (0.63) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL27584489 0.62 LMNA (0.52) ALDH1A1LMNAGRIN2DGRIN3BGRIN1
SCHEMBL7124697 0.62 EPHX2 (0.41) ALDH1A1LMNAGRIN2DGRIN3BGRIN1
SCHEMBL548807 0.62 GAA (0.42) ALDH1A1LMNAGRIN2DGRIN3BGRIN1
SCHEMBL28141032 0.62 LMNA (0.41) ALDH1A1LMNAGRIN2DGRIN3BGRIN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115340563-B Allyl boron compound and zinc-catalyzed cyclopropene preparation method 鲁东大学 2025-02-18 CN disclosed
CN-115340563-A Preparation method of allyl boron compound and zinc-catalyzed cyclopropene 鲁东大学 2022-11-15 CN disclosed