SCHEMBL25870410

SCHEMBL25870410

COC(=O)C1(C)C=CC(C)(C(=O)OC)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.32
MAPK1 P28482 1/20 0.32
FFAR3 O14843 1/20 0.31
MAPT P10636 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
SCHEMBL23370153 0.91 MEN1 (0.37) CYP3A4MEN1KMT2ANPSR1LMNA
SCHEMBL23620545 0.89 CYP3A4 (0.36) CYP3A4MEN1KMT2ANPSR1LMNA
SCHEMBL23370154 0.86 MEN1 (0.34) CYP3A4MEN1KMT2ANPSR1CYP4F2
SCHEMBL24547735 0.84 MEN1 (0.33) CYP3A4MEN1KMT2ANPSR1
SCHEMBL23620539 0.83 MEN1 (0.33) CYP3A4MEN1KMT2ANPSR1
SCHEMBL28603680 0.82 CYP3A4 (0.37) CYP3A4MEN1KMT2ANPSR1LMNA
SCHEMBL2124042 0.79 CYP3A4 (0.38) CYP3A4MEN1KMT2ANPSR1LMNA
SCHEMBL23420659 0.77
SCHEMBL23329359 0.77 GAA (0.33) MEN1KMT2ASMN1; SMN2HTTMAPK1
SCHEMBL16086171 0.76 CYP3A4 (0.43) CYP3A4MEN1KMT2ANPSR1TSHR

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
WO-2023135329-A1 COSMETIC COMPOUNDS TARA BRANDS EUROPE S.L.U. (ES) 2023-07-20 WO disclosed