SCHEMBL9253305

SCHEMBL9253305

C=CCCC[C@H]1CC[C@H]([C@H]2CC[C@H](C(=O)Oc3ccc(Cl)cc3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
F2 P00734 1/20 0.40
LSS P48449 4/20 0.39
ELANE P08246 2/20 0.39
MEN1 O00255 1/20 0.37
HPGD P15428 2/20 0.36
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ADAMTS4 O75173 1/20 0.34
MMP8 P22894 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL9253311 1.00 KMT2A (0.41) KMT2ASMN1; SMN2HTTTDP1F2
SCHEMBL9253303 1.00 KMT2A (0.41) KMT2ASMN1; SMN2HTTTDP1F2
SCHEMBL9257519 0.96 KMT2A (0.44) KMT2ASMN1; SMN2HTTTDP1F2
SCHEMBL9257522 0.96 KMT2A (0.44) KMT2ASMN1; SMN2HTTTDP1F2
SCHEMBL9256839 0.93 KMT2A (0.43) KMT2ASMN1; SMN2HTTTDP1F2
SCHEMBL9256841 0.93 KMT2A (0.43) KMT2ASMN1; SMN2HTTTDP1F2
SCHEMBL9256835 0.93 KMT2A (0.43) KMT2ASMN1; SMN2HTTTDP1F2
SCHEMBL9253545 0.89 KMT2A (0.46) KMT2ASMN1; SMN2HTTTDP1F2
SCHEMBL9253541 0.89 KMT2A (0.46) KMT2ASMN1; SMN2HTTTDP1F2
SCHEMBL9257968 0.88 KMT2A (0.41) KMT2ASMN1; SMN2HTTTDP1F2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5454974-A Halobenzene liquid crystals HOFFMANN-LA ROCHE INC. (US) 1995-10-03 US disclosed
US-5230826-A HALOBENZENE LIQUID CRYSTALS HOFFMANN-LA ROCHE INC. (US) 1993-07-27 US disclosed
US-5013477-A Alkenylbicyclohexane liquid crystals HOFFMANN-LA ROCHE INC. (US) 1991-05-07 US disclosed