SCHEMBL12717121

SCHEMBL12717121

CC1CCC(c2ccc(OC(=O)C3CCC(c4ccc(C5CO5)c(F)c4F)CC3)c(F)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HPGD P15428 4/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ SCN9A Q15858 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL12823095 0.90 MEN1 (0.35) L3MBTL1KMT2AMEN1RAB9AHPGD
SCHEMBL12224669 0.88 L3MBTL1 (0.36) L3MBTL1KMT2AMEN1RAB9AHPGD
SCHEMBL12821232 0.87 MEN1 (0.33) L3MBTL1KMT2AMEN1RAB9AHPGD
SCHEMBL12836553 0.87 HPGD (0.36) L3MBTL1KMT2AMEN1RAB9AHPGD
SCHEMBL13586067 0.86 MEN1 (0.34) L3MBTL1KMT2AMEN1RAB9AHPGD
SCHEMBL12822394 0.86 MEN1 (0.33) L3MBTL1KMT2AMEN1RAB9AHPGD
SCHEMBL12823162 0.86 MEN1 (0.33) L3MBTL1KMT2AMEN1RAB9AHPGD
SCHEMBL12822696 0.86 CYP2C9 (0.36) L3MBTL1KMT2AMEN1RAB9AHPGD
SCHEMBL10091251 0.85 ESR1 (0.41) L3MBTL1KMT2AMEN1RAB9AHPGD
SCHEMBL12223940 0.85 HPGD (0.33) L3MBTL1KMT2AMEN1RAB9AHPGD

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
EP-2305627-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-04-06 — — EP disclosed
Send feedback