SCHEMBL9792102

SCHEMBL9792102

CC[N+](CC)(CC)Cc1ccccc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 14/20 0.38
CA2 P00918 14/20 0.38
MMP1 P03956 4/20 0.38
MMP2 P08253 4/20 0.38
MMP9 P14780 4/20 0.38
MMP8 P22894 4/20 0.38
MMP13 P45452 4/20 0.38
CYP1A2 P05177 1/20 0.36
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
TAS2R10 Q9NYW0 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33

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
SCHEMBL9792107 0.86 CA1 (0.40) CA1CA2MMP1MMP2MMP9
SCHEMBL11758384 0.86 KDM4E (0.47) CA1CA2MMP1MMP2MMP9
Trifluoromethanesulfonic Acid SCHEMBL3913393 0.84 CYP1A2 (0.41) CYP1A2MEN1LMNACYP2D6TSHR
Tetrylammonium SCHEMBL124493 0.81 CA2 (0.42) CA1CA2MMP1MMP2MMP9
Tetrylammonium SCHEMBL18008425 0.81 CA2 (0.42) CA1CA2MMP1MMP2MMP9
Tetrylammonium SCHEMBL703806 0.81 CA2 (0.42) CA1CA2MMP1MMP2MMP9
Tetrylammonium SCHEMBL18008062 0.81 CA2 (0.42) CA1CA2MMP1MMP2MMP9
Tetrylammonium SCHEMBL18007791 0.81 CA2 (0.42) CA1CA2MMP1MMP2MMP9
Tetrylammonium SCHEMBL18009138 0.81 CA2 (0.42) CA1CA2MMP1MMP2MMP9
Tetrylammonium SCHEMBL5611996 0.81 CA2 (0.42) CA1CA2MMP1MMP2MMP9

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
US-5053550-A PREPARATION OF FORMYLCYCLOPROPANE BASF AKTIENGESELLSCHAFT (DE) 1991-10-01 US disclosed