SCHEMBL11547608

SCHEMBL11547608

CCCCc1ccc(C(=O)Oc2ccc(-c3ccc(CC)cc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.60
MAPT P10636 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
RARA P10276 1/20 0.54
MTOR P42345 1/20 0.54
THRB P10828 5/20 0.52
TP53 P04637 1/20 0.51
THRA P10827 2/20 0.49
PLK1 P53350 1/20 0.49
PRSS1 P07477 1/20 0.48
ACR P10323 1/20 0.48
NPC1 O15118 2/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL11547226 1.00 RARB (0.60) RARBMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL11548012 1.00 RARB (0.60) RARBMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL12736304 1.00 RARB (0.60) RARBMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL11553184 0.97 RARB (0.64) RARBMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL11547222 0.97 RARB (0.64) RARBMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL11546828 0.96 MAPT (0.63) RARBMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL11552645 0.96 MAPT (0.63) RARBMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL11546845 0.96 MAPT (0.63) RARBMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL11547128 0.96 MAPT (0.63) RARBMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL11695074 0.95 MAPT (0.55) RARBMAPTSMN1; SMN2KMT2AALDH1A1

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