SCHEMBL11549560

SCHEMBL11549560

CCCCCc1ccc(C(=O)Oc2ccc(-c3ccc(CCC)cc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
RARB P10826 6/20 0.61
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 1/20 0.60
RARA P10276 1/20 0.60
MTOR P42345 1/20 0.60
THRB P10828 5/20 0.57
THRA P10827 1/20 0.55
NPC1 O15118 2/20 0.50
LMNA P02545 2/20 0.50
PRSS1 P07477 1/20 0.50
ACR P10323 1/20 0.50
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 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
SCHEMBL11551143 1.00 MAPT (0.63) MAPTSMN1; SMN2RARBKMT2AMEN1
SCHEMBL11549400 1.00 MAPT (0.63) MAPTSMN1; SMN2RARBKMT2AMEN1
SCHEMBL12736307 1.00 MAPT (0.63) MAPTSMN1; SMN2RARBKMT2AMEN1
SCHEMBL11549358 0.99 RARB (0.62) MAPTSMN1; SMN2RARBKMT2AMEN1
SCHEMBL11552999 0.99 RARB (0.62) MAPTSMN1; SMN2RARBKMT2AMEN1
SCHEMBL11548594 0.99 RARB (0.62) MAPTSMN1; SMN2RARBKMT2AMEN1
SCHEMBL11549551 0.99 RARB (0.62) MAPTSMN1; SMN2RARBKMT2AMEN1
SCHEMBL11549101 0.99 RARB (0.62) MAPTSMN1; SMN2RARBKMT2AMEN1
SCHEMBL11547452 0.99 RARB (0.62) MAPTSMN1; SMN2RARBKMT2AMEN1
SCHEMBL3507504 0.97 MAPT (0.66) MAPTSMN1; SMN2RARBKMT2AMEN1

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