SCHEMBL20152470

SCHEMBL20152470

Cc1cc(OC(=O)[C@H]2CC[C@@H](C)CC2)cc(C)c1F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ATM Q13315 1/20 0.40
ELANE P08246 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 3/20 0.37
MEN1 O00255 2/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.35
HPGD P15428 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
SCHEMBL20276018 1.00 KMT2A (0.42) KMT2AHTTSMN1; SMN2TDP1ATM
SCHEMBL5961803 0.87 KMT2A (0.44) KMT2AHTTSMN1; SMN2TDP1ATM
SCHEMBL9763497 0.86 KMT2A (0.43) KMT2AHTTSMN1; SMN2TDP1ATM
SCHEMBL19883160 0.86 KMT2A (0.43) KMT2AHTTSMN1; SMN2TDP1ATM
SCHEMBL5961798 0.83 KMT2A (0.41) KMT2AHTTSMN1; SMN2TDP1ATM
SCHEMBL22432168 0.82 KMT2A (0.46) KMT2AHTTSMN1; SMN2TDP1ATM
SCHEMBL2741529 0.82 KMT2A (0.40) KMT2AHTTSMN1; SMN2TDP1ATM
SCHEMBL18636252 0.82 KMT2A (0.47) KMT2AHTTSMN1; SMN2TDP1ATM
SCHEMBL20152466 0.81 ALDH1A1 (0.41) KMT2AHTTSMN1; SMN2TDP1ATM
SCHEMBL12718792 0.81 TDP1 (0.39) KMT2AHTTSMN1; SMN2TDP1ATM

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-20180134961-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-05-17 US disclosed