SCHEMBL9257559

SCHEMBL9257559

CCCCCCCCOc1ccc(C(=O)Oc2ccc(CCCCOC[C@@H](C)CC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
LMNA P02545 4/20 0.56
NPC1 O15118 3/20 0.56
NFKB1 P19838 3/20 0.56
NFKB2 Q00653 3/20 0.56
RELA Q04206 3/20 0.56
CYP3A4 P08684 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
MAPT P10636 4/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP1 P29466 1/20 0.49
SLCO1B3 Q9NPD5 1/20 0.49

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
SCHEMBL9252617 0.98 SMN1; SMN2 (0.56) SMN1; SMN2LMNANPC1NFKB1NFKB2
SCHEMBL9252624 0.98 SMN1; SMN2 (0.56) SMN1; SMN2LMNANPC1NFKB1NFKB2
SCHEMBL9255998 0.98 SMN1; SMN2 (0.56) SMN1; SMN2LMNANPC1NFKB1NFKB2
SCHEMBL9357404 0.98 SMN1; SMN2 (0.56) SMN1; SMN2LMNANPC1NFKB1NFKB2
SCHEMBL9843794 0.95 SMN1; SMN2 (0.53) SMN1; SMN2LMNANPC1NFKB1NFKB2
SCHEMBL9843797 0.95 SMN1; SMN2 (0.53) SMN1; SMN2LMNANPC1NFKB1NFKB2
SCHEMBL9260301 0.94 NPC1 (0.57) SMN1; SMN2LMNANPC1NFKB1NFKB2
SCHEMBL9252422 0.94 NPC1 (0.57) SMN1; SMN2LMNANPC1NFKB1NFKB2
SCHEMBL9252428 0.94 NPC1 (0.57) SMN1; SMN2LMNANPC1NFKB1NFKB2
SCHEMBL9256605 0.92 SMN1; SMN2 (0.54) SMN1; SMN2LMNANPC1NFKB1NFKB2

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-5385693-A Having rapid response and low phase transition temperature SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-01-31 US disclosed
EP-0357372-B1 Optically active ester derivatives, preparation process thereof, liquid crystal materials and a light switching element SUMITOMO CHEMICAL CO (JP) 1994-11-17 EP disclosed
US-5264151-A Optically active ester derivatives, preparation process thereof, liquid crystal materials and a light switching element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-11-23 US disclosed