SCHEMBL21779554

SCHEMBL21779554

CCN(CC)CC(=O)OC(C)(C)C1CC=C(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
CYP3A4 P08684 2/20 0.46
ALOX15 P16050 2/20 0.46
PTPN1 P18031 1/20 0.40
STAT3 P40763 2/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRNA7 P36544 1/20 0.40
CES2 O00748 3/20 0.34
TSHR P16473 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
OPRK1 P41145 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 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
SCHEMBL21779582 0.88 LMNA (0.44) LMNACYP3A4ALOX15PTPN1STAT3
SCHEMBL129843 0.85 LMNA (0.53) LMNACYP3A4ALOX15PTPN1STAT3
SCHEMBL21779540 0.84 LMNA (0.51) LMNACYP3A4ALOX15PTPN1STAT3
SCHEMBL16553105 0.84 LMNA (0.54) LMNACYP3A4ALOX15PTPN1STAT3
SCHEMBL3504597 0.83 LMNA (0.50) LMNACYP3A4ALOX15PTPN1STAT3
SCHEMBL3504963 0.81 LMNA (0.48) LMNACYP3A4ALOX15PTPN1STAT3
SCHEMBL29899417 0.79 LMNA (0.49) LMNACYP3A4ALOX15PTPN1STAT3
SCHEMBL3503692 0.79 LMNA (0.49) LMNACYP3A4ALOX15PTPN1STAT3
SCHEMBL180439 0.79 LMNA (0.49) LMNACYP3A4ALOX15PTPN1STAT3
SCHEMBL25380939 0.79 LMNA (0.59) LMNACYP3A4ALOX15PTPN1STAT3

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-3412649-B1 TERPINEOL AND PREPARATION METHOD AND APPLICATION THEREOF ZHEJIANG ACAD OF TRADITIONAL CHINESE MEDICINE (CN) 2020-03-04 EP disclosed