SCHEMBL11549191

SCHEMBL11549191

CCCCOc1ccc(OC(=O)c2ccc(-c3ccc(CCCC)cc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
LMNA P02545 3/20 0.59
NPC1 O15118 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
PRSS1 P07477 1/20 0.59
ACR P10323 1/20 0.59
KMT2A Q03164 2/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
RARB P10826 7/20 0.57
THRB P10828 2/20 0.56
TSHR P16473 1/20 0.53

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
SCHEMBL11556369 1.00 MAPT (0.61) MAPTSMN1; SMN2LMNANPC1CYP1A2
SCHEMBL11545598 1.00 MAPT (0.61) MAPTSMN1; SMN2LMNANPC1CYP1A2
SCHEMBL11553180 0.97 NPC1 (0.64) MAPTSMN1; SMN2LMNANPC1CYP1A2
SCHEMBL11549536 0.97 MAPT (0.65) MAPTSMN1; SMN2LMNANPC1CYP1A2
SCHEMBL11549157 0.97 NPC1 (0.64) MAPTSMN1; SMN2LMNANPC1CYP1A2
SCHEMBL11547265 0.96 SMN1; SMN2 (0.64) MAPTSMN1; SMN2LMNANPC1CYP1A2
SCHEMBL11547005 0.96 SMN1; SMN2 (0.64) MAPTSMN1; SMN2LMNANPC1CYP1A2
SCHEMBL11548374 0.96 SMN1; SMN2 (0.64) MAPTSMN1; SMN2LMNANPC1CYP1A2
SCHEMBL11551199 0.96 SMN1; SMN2 (0.64) MAPTSMN1; SMN2LMNANPC1CYP1A2
SCHEMBL11554354 0.96 SMN1; SMN2 (0.64) MAPTSMN1; SMN2LMNANPC1CYP1A2

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