SCHEMBL28944403

SCHEMBL28944403

CC=CC(CCCC)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.39
CA1 P00915 2/20 0.39
TSHR P16473 3/20 0.37
ATM Q13315 2/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 1/20 0.34
FAAH O00519 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CPB2 Q96IY4 1/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 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
SCHEMBL28728349 0.95 ZDHHC7 (0.40) CA1FAAHCPB2ZDHHC7
SCHEMBL7297867 0.90 CA2 (0.42) CA2CA1TSHRATMACHE
SCHEMBL7297863 0.90 CA2 (0.42) CA2CA1TSHRATMACHE
SCHEMBL9495220 0.89 ALDH1A1 (0.36) TSHRCYP3A4TDP1ALDH1A1CPB2
SCHEMBL9495225 0.89 ALDH1A1 (0.36) TSHRCYP3A4TDP1ALDH1A1CPB2
SCHEMBL27575312 0.85 CA2 (0.52) CA2CA1TSHRATMACHE
SCHEMBL3177902 0.81 TSHR (0.42) CA2CA1TSHRATMCYP3A4
SCHEMBL7909171 0.79 TSHR (0.45) CA2CA1TSHRATMCYP3A4
SCHEMBL1474367 0.79 CA2 (0.47) CA2CA1ACHEBACE1TDP1
SCHEMBL2963668 0.79 CA2 (0.47) CA2CA1ACHEBACE1TDP1

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-114711533-A System for dispensing a cosmetic product 欧莱雅 2022-07-08 CN disclosed
CN-114617352-A System for dispensing a cosmetic product 欧莱雅 2022-06-14 CN disclosed