SCHEMBL11550882

SCHEMBL11550882

CCCOc1ccc(C(=O)Oc2ccc(-c3ccc(C)cc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
THRB P10828 2/20 0.60
KMT2A Q03164 3/20 0.57
LMNA P02545 4/20 0.55
NPC1 O15118 3/20 0.55
CYP1A2 P05177 3/20 0.55
CYP2C19 P33261 3/20 0.55
CYP2C9 P11712 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
PRSS1 P07477 2/20 0.54
ACR P10323 2/20 0.54
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
RARB P10826 4/20 0.51
PLK1 P53350 1/20 0.51
MAPK1 P28482 1/20 0.50

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
SCHEMBL11550027 1.00 MAPT (0.60) MAPTSMN1; SMN2L3MBTL1THRBKMT2A
SCHEMBL12536653 0.95 L3MBTL1 (0.64) MAPTSMN1; SMN2L3MBTL1THRBKMT2A
SCHEMBL11551224 0.94 MAPT (0.64) MAPTSMN1; SMN2L3MBTL1THRBKMT2A
SCHEMBL11551955 0.94 MAPT (0.64) MAPTSMN1; SMN2L3MBTL1THRBKMT2A
SCHEMBL11547986 0.92 LMNA (0.67) MAPTSMN1; SMN2KMT2ALMNANPC1
SCHEMBL11548224 0.92 LMNA (0.67) MAPTSMN1; SMN2KMT2ALMNANPC1
SCHEMBL11547482 0.92 LMNA (0.67) MAPTSMN1; SMN2KMT2ALMNANPC1
SCHEMBL13402144 0.91 NPC1 (0.57) MAPTSMN1; SMN2L3MBTL1THRBKMT2A
SCHEMBL11551378 0.90 NPC1 (0.67) MAPTSMN1; SMN2KMT2ALMNANPC1
SCHEMBL11549571 0.90 NPC1 (0.67) MAPTSMN1; SMN2KMT2ALMNANPC1

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