SCHEMBL21779588

SCHEMBL21779588

CCCCCCCCCCCCCCCCCC(=O)OC(C)(C)C1CC=C(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
CYP3A4 P08684 2/20 0.45
ALOX15 P16050 2/20 0.45
PTPN1 P18031 1/20 0.40
NAAA Q02083 2/20 0.40
STAT3 P40763 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
CHRNA7 P36544 1/20 0.39
PRKCA P17252 8/20 0.36
DGKA P23743 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL16553105 0.88 LMNA (0.54) LMNACYP3A4ALOX15PTPN1STAT3
SCHEMBL129843 0.84 LMNA (0.53) LMNACYP3A4ALOX15PTPN1STAT3
SCHEMBL180439 0.83 LMNA (0.49) LMNACYP3A4ALOX15PTPN1STAT3
SCHEMBL21779540 0.80 LMNA (0.51) LMNACYP3A4ALOX15PTPN1STAT3
SCHEMBL21779554 0.79 LMNA (0.47) LMNACYP3A4ALOX15PTPN1STAT3
SCHEMBL3503692 0.78 LMNA (0.49) LMNACYP3A4ALOX15PTPN1STAT3
SCHEMBL12663607 0.77 LMNA (0.60) LMNACYP3A4ALOX15PTPN1STAT3
SCHEMBL18316481 0.77 LMNA (0.60) LMNACYP3A4ALOX15PTPN1STAT3
SCHEMBL15470637 0.76 LMNA (0.50) LMNACYP3A4ALOX15PTPN1STAT3
SCHEMBL28189672 0.76 NAAA (0.58) LMNANAAAMAPK1PRKCADGKA

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