SCHEMBL9763935

SCHEMBL9763935

CCCC[C@H]1CC[C@H](CC[C@H]2CC[C@H](C(=O)Oc3cc(F)c(F)c(F)c3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.41
POLB P06746 2/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PKM P14618 1/20 0.35
F2 P00734 1/20 0.35
CA2 P00918 1/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL8030907 0.99 MAPT (0.42) MAPTGAAPOLBHPGDKMT2A
SCHEMBL9764339 0.96 PKM (0.40) MAPTGAAPOLBHPGDKMT2A
SCHEMBL9763591 0.95 KMT2A (0.41) MAPTGAAPOLBHPGDKMT2A
SCHEMBL8527627 0.95 MAPT (0.40) MAPTGAAPOLBHPGDKMT2A
SCHEMBL9763580 0.95 KMT2A (0.41) MAPTGAAPOLBHPGDKMT2A
SCHEMBL9763888 0.95 KMT2A (0.41) MAPTGAAPOLBHPGDKMT2A
SCHEMBL8049042 0.95 MAPT (0.40) MAPTGAAPOLBHPGDKMT2A
SCHEMBL9763569 0.95 KMT2A (0.41) MAPTGAAPOLBHPGDKMT2A
SCHEMBL9763972 0.95 KMT2A (0.41) MAPTGAAPOLBHPGDKMT2A
SCHEMBL9763551 0.95 PKM (0.40) MAPTGAAPOLBHPGDKMT2A

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-5032313-A Trifluorobenzene derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1991-07-16 US disclosed