SCHEMBL9764005

SCHEMBL9764005

CCCCCCCCCC[C@H]1CC[C@H](C(=O)Oc2cc(F)c(F)c(F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CCR2 P41597 1/20 0.37
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
F2 P00734 1/20 0.34
CA2 P00918 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
SCHEMBL9763957 1.00 KMT2A (0.41) KMT2AHTTMEN1TP53PKM
SCHEMBL9763947 1.00 KMT2A (0.41) KMT2AHTTMEN1TP53PKM
SCHEMBL9763540 1.00 KMT2A (0.41) KMT2AHTTMEN1TP53PKM
SCHEMBL9763533 1.00 KMT2A (0.41) KMT2AHTTMEN1TP53PKM
SCHEMBL9763580 0.99 KMT2A (0.41) KMT2AHTTMEN1TP53PKM
SCHEMBL9763888 0.99 KMT2A (0.41) KMT2AHTTMEN1TP53PKM
SCHEMBL9763591 0.99 KMT2A (0.41) KMT2AHTTMEN1TP53PKM
SCHEMBL9763569 0.99 KMT2A (0.41) KMT2AHTTMEN1TP53PKM
SCHEMBL9763972 0.99 KMT2A (0.41) KMT2AHTTMEN1TP53PKM
SCHEMBL9763551 0.99 PKM (0.40) KMT2AHTTMEN1TP53PKM

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