SCHEMBL11547265

SCHEMBL11547265

CCCCCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(CCCC)cc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.64
NPC1 O15118 3/20 0.64
LMNA P02545 3/20 0.64
NFKB1 P19838 3/20 0.64
NFKB2 Q00653 3/20 0.64
RELA Q04206 3/20 0.64
RARB P10826 7/20 0.63
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
MAPT P10636 5/20 0.58
POLB P06746 1/20 0.56
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
PRSS1 P07477 1/20 0.55
ACR P10323 1/20 0.55
KMT2A Q03164 2/20 0.55
PLA2G4B P0C869 1/20 0.55

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
SCHEMBL11554354 1.00 SMN1; SMN2 (0.64) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL11551199 1.00 SMN1; SMN2 (0.64) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL11547017 1.00 SMN1; SMN2 (0.64) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL11547005 1.00 SMN1; SMN2 (0.64) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL11546926 1.00 SMN1; SMN2 (0.64) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL11548374 1.00 SMN1; SMN2 (0.64) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL11549157 0.99 NPC1 (0.64) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL11553180 0.99 NPC1 (0.64) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL11552851 0.97 SMN1; SMN2 (0.64) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL11556438 0.97 SMN1; SMN2 (0.64) 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
US-4136053-A BIPHENYL ESTERS AND LIQUID CRYSTALLINE MIXTURES COMPRISING THEM MERCK PATENT GESELLSCHAFT MIT BESCHANKTER HAFTUNG (DE) 1979-01-23 US disclosed
US-4065489-A Biphenyl esters and liquid crystalline mixtures comprising them MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-12-27 US disclosed