Sugi Predict

Sugi Predict / Compounds / SCHEMBL14764978

SCHEMBL14764978

SCHEMBL14764978

[CH]C(C)C1CC=C(C)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.41
▸ PTPN1 P18031 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CHRNA7 P36544 1/20 0.31
▸ STAT3 P40763 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
SCHEMBL6882235 0.83 LMNA (0.44) LMNAPTPN1MEN1CYP3A4ALOX15
SCHEMBL3851126 0.83 LMNA (0.44) LMNAPTPN1MEN1CYP3A4ALOX15
SCHEMBL736990 0.83 LMNA (0.44) LMNAPTPN1MEN1CYP3A4ALOX15
SCHEMBL16796012 0.83 LMNA (0.44) LMNAPTPN1MEN1CYP3A4ALOX15
SCHEMBL5933973 0.83 LMNA (0.44) LMNAPTPN1MEN1CYP3A4ALOX15
SCHEMBL1704609 0.79 LMNA (0.46) LMNAPTPN1MEN1CYP3A4ALOX15
SCHEMBL6402023 0.79 LMNA (0.46) LMNAPTPN1MEN1CYP3A4ALOX15
SCHEMBL21913451 0.77 LMNA (0.47) LMNAPTPN1MEN1CYP3A4ALOX15
SCHEMBL24133233 0.76 LMNA (0.39) LMNAPTPN1
SCHEMBL16193512 0.76 LMNA (0.43) LMNAPTPN1MEN1CYP3A4ALOX15

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-2013034416-A1 ANTIMICROBIAL METHOD AND COMPOSITION UNILEVER N.V. (NL) 2013-03-14 — — WO disclosed