SCHEMBL31461645

SCHEMBL31461645

CC(=O)OC1C2CC=C(C)C1C2(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.36
CYP17A1 P05093 3/20 0.34
DPP4 P27487 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP19A1 P11511 4/20 0.32
F10 P00742 1/20 0.32
ACHE P22303 1/20 0.31
PAX8 Q06710 1/20 0.31

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
SCHEMBL30105447 1.00 CYP3A4 (0.44) CYP3A4USP2TSHRALOX15MAPK1
SCHEMBL29456815 1.00 CYP3A4 (0.44) CYP3A4USP2TSHRALOX15MAPK1
SCHEMBL9148678 0.70 TSHR (0.39) CYP3A4USP2TSHRMAPK1TP53
SCHEMBL30105535 0.70 TSHR (0.39) CYP3A4USP2TSHRMAPK1TP53
SCHEMBL9838196 0.69 TSHR (0.36) CYP3A4USP2TSHRALOX15MAPK1
SCHEMBL30105582 0.66 USP2 (0.36) CYP3A4USP2TSHRALOX15MAPK1
SCHEMBL3503711 0.66 USP2 (0.36) CYP3A4USP2TSHRALOX15MAPK1
SCHEMBL10296727 0.66 USP2 (0.36) CYP3A4USP2TSHRALOX15MAPK1
SCHEMBL10296722 0.66 USP2 (0.36) CYP3A4USP2TSHRALOX15MAPK1
SCHEMBL18309368 0.65 CHRNB2 (0.41) TSHRCYP17A1DPP4ALDH1A1LMNA

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
EP-4497442-A1 ANTI-DANDRUFF ACTIVITY OF ARTEMISIA VULGARIS ESSENTIAL OIL Centre for Aromatic Plants (IN) 2025-01-29 EP disclosed