SCHEMBL9246181

SCHEMBL9246181

C=CCCC[C@H]1CC[C@H](C(=O)Oc2ccc(F)c(F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ F2 P00734 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ ELANE P08246 1/20 0.36
▸ LSS P48449 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 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
SCHEMBL9246187 1.00 KMT2A (0.38) KMT2ATDP1HTTSMN1; SMN2L3MBTL1
SCHEMBL9245935 0.97 KMT2A (0.36) KMT2ATDP1HTTSMN1; SMN2L3MBTL1
SCHEMBL9245928 0.97 KMT2A (0.36) KMT2ATDP1HTTSMN1; SMN2L3MBTL1
SCHEMBL9245931 0.97 KMT2A (0.36) KMT2ATDP1HTTSMN1; SMN2L3MBTL1
SCHEMBL9258202 0.93 KMT2A (0.40) KMT2ATDP1HTTSMN1; SMN2L3MBTL1
SCHEMBL9258195 0.93 KMT2A (0.40) KMT2ATDP1HTTSMN1; SMN2L3MBTL1
SCHEMBL9876157 0.90 KMT2A (0.38) KMT2ATDP1HTTSMN1; SMN2L3MBTL1
SCHEMBL9876154 0.90 KMT2A (0.38) KMT2ATDP1HTTSMN1; SMN2L3MBTL1
SCHEMBL9876148 0.90 KMT2A (0.38) KMT2ATDP1HTTSMN1; SMN2L3MBTL1
SCHEMBL10798268 0.87 TRPV4 (0.36) KMT2ATDP1HTTSMN1; SMN2L3MBTL1

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 4 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-5302317-A Halobenzene liquid crystals HOFFMANN-LA ROCHE INC. (US) 1994-04-12 — — 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
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