SCHEMBL5322934

SCHEMBL5322934

CCCC[N+]1(C)CCCC1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.35
LMNA P02545 3/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
MMP1 P03956 2/20 0.31
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
MMP8 P22894 2/20 0.31
MMP13 P45452 2/20 0.31
KMT2A Q03164 1/20 0.30
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL15671226 0.94 LMNA (0.37) BBOX1LMNACYP3A4TSHRTDP1
SCHEMBL15670959 0.91 CA2 (0.33) BBOX1CA1CA2MMP1MMP2
SCHEMBL23088829 0.85 BBOX1 (0.33) BBOX1LMNACYP3A4TSHRTDP1
SCHEMBL23088834 0.85 BBOX1 (0.33) BBOX1LMNACYP3A4TSHRTDP1
SCHEMBL23088908 0.85 BBOX1 (0.33) BBOX1LMNACYP3A4TSHRTDP1
Trifluoromethanesulfonic Acid SCHEMBL30697434 0.85 BBOX1 (0.41) BBOX1LMNACYP3A4TSHRTDP1
Trifluoromethanesulfonic Acid SCHEMBL246591 0.85 BBOX1 (0.41) BBOX1LMNACYP3A4TSHRTDP1
Trifluoromethanesulfonic Acid SCHEMBL318063 0.83 BBOX1 (0.40) BBOX1LMNACYP3A4TSHRTDP1
Trifluoromethanesulfonic Acid SCHEMBL717623 0.83 BBOX1 (0.40) BBOX1LMNACYP3A4TSHRTDP1
Trifluoromethanesulfonic Acid SCHEMBL30331399 0.80 LMNA (0.40) BBOX1LMNACYP3A4TSHRTDP1

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-2007149748-A1 ANTISTATIC AGENT AND PLASTIC COMPOSITION COMPRISING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-12-27 WO disclosed