SCHEMBL9843794

SCHEMBL9843794

CCCCCCCCOc1ccc(OC(=O)c2ccc(-c3ccc(CCCOCC(C)CC)cc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
NPC1 O15118 3/20 0.53
LMNA P02545 3/20 0.53
NFKB1 P19838 3/20 0.53
NFKB2 Q00653 3/20 0.53
RELA Q04206 3/20 0.53
RARB P10826 5/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 4/20 0.49
POLB P06746 1/20 0.47
PRSS1 P07477 1/20 0.46
ACR P10323 1/20 0.46
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
PLA2G4B P0C869 2/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL9843797 1.00 SMN1; SMN2 (0.53) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9252624 0.97 SMN1; SMN2 (0.56) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9252617 0.97 SMN1; SMN2 (0.56) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9255998 0.97 SMN1; SMN2 (0.56) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9357404 0.97 SMN1; SMN2 (0.56) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9256605 0.95 SMN1; SMN2 (0.54) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9256611 0.95 SMN1; SMN2 (0.54) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9257559 0.95 SMN1; SMN2 (0.56) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9260301 0.92 NPC1 (0.57) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9252422 0.92 NPC1 (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3083949-A None JP disclosed
JP-H0383949-A OPTICALLY ACTIVE BIPHENYL DERIVATIVE, ITS PRODUCTION, LIQUID CRYSTAL COMPOSITION CONTAINING THE DERIVATIVE AS ACTIVE COMPONENT AND LIQUID CRYSTAL ELEMENT CONTAINING THE SAME SUMITOMO CHEM CO LTD 1991-04-09 JP disclosed