SCHEMBL9352199

SCHEMBL9352199

CCCCCCCCCCOc1ccc(-c2ccc(C(=O)Oc3ccc(CCC(CCCCCC)C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 3/20 0.52
LMNA P02545 3/20 0.52
NFKB1 P19838 3/20 0.52
NFKB2 Q00653 3/20 0.52
RELA Q04206 3/20 0.52
RARB P10826 5/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 5/20 0.48
POLB P06746 1/20 0.46
PRSS1 P07477 1/20 0.45
ACR P10323 1/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL9355937 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9352833 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9352240 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9355940 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9356003 0.98 SMN1; SMN2 (0.52) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9352005 0.98 SMN1; SMN2 (0.52) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9355991 0.98 SMN1; SMN2 (0.52) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9352107 0.98 SMN1; SMN2 (0.52) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9355952 0.98 SMN1; SMN2 (0.52) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9352031 0.94 MAPT (0.52) SMN1; SMN2NPC1LMNANFKB1NFKB2

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
EP-0440134-B1 Mesomorphic compound, liquid crystal composition containing same, liquid crystal device using same and display apparatus CANON KK (JP) 1994-09-21 EP disclosed
US-5217644-A MESOMORPHIC COMPOUND, LIQUID CRYSTAL COMPOSITION CONTAINING SAME, LIQUID CRYSTAL DEVICE USING SAME AND DISPLAY APPARATUS CANON KABUSHIKI KAISHA (JP) 1993-06-08 US disclosed
EP-0440134-A1 Mesomorphic compound, liquid crystal composition containing same, liquid crystal device using same and display apparatus CANON KABUSHIKI KAISHA (JP) 1991-08-07 EP disclosed