SCHEMBL29034285

SCHEMBL29034285

C=C(C)C1CC2CCCC=C2C(C)(C)C1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
ALOX15 P16050 1/20 0.30
CYP1B1 Q16678 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2C19 P33261 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
SCHEMBL17633710 0.70 LMNA (0.42) LMNATP53TSHRALOX15CYP1B1
SCHEMBL1460613 0.68 TRPA1 (0.37)
SCHEMBL5694523 0.65 CYP19A1 (0.35)
SCHEMBL28814740 0.65 TP53 (0.40) LMNATP53TSHRCYP2C19
SCHEMBL4989137 0.64 CYP19A1 (0.32)
SCHEMBL29152837 0.64 CYP19A1 (0.32)
SCHEMBL29152840 0.64 CYP19A1 (0.32)
SCHEMBL17417897 0.63 CYP19A1 (0.32)
SCHEMBL5680836 0.63 CYP19A1 (0.32)
SCHEMBL28555653 0.61 CYP19A1 (0.34)

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-115044574-B Vanilla alkene synthase mutant and application thereof in synthesizing valansia alkene in yeast 华东理工大学 2023-07-14 CN disclosed