SCHEMBL11549784

SCHEMBL11549784

CCCCOc1ccc(-c2ccc(C(=O)Oc3ccc(CC)cc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.62
NPC1 O15118 3/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
PRSS1 P07477 1/20 0.61
ACR P10323 1/20 0.61
MAPT P10636 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
NFKB1 P19838 3/20 0.60
NFKB2 Q00653 3/20 0.60
RELA Q04206 3/20 0.60
KMT2A Q03164 2/20 0.60
RARB P10826 4/20 0.58
TSHR P16473 2/20 0.56
THRB P10828 1/20 0.55
TP53 P04637 2/20 0.54
POLB P06746 1/20 0.52

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
SCHEMBL11547954 1.00 LMNA (0.62) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL11548763 0.97 NPC1 (0.67) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL11552733 0.96 SMN1; SMN2 (0.67) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL11552468 0.96 SMN1; SMN2 (0.67) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL11548474 0.96 SMN1; SMN2 (0.67) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL11547978 0.96 SMN1; SMN2 (0.67) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL11549816 0.96 SMN1; SMN2 (0.67) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL11551688 0.96 SMN1; SMN2 (0.67) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL11671582 0.93 LMNA (0.72) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL11549191 0.92 MAPT (0.61) LMNANPC1CYP1A2CYP2C9CYP2C19

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