SCHEMBL11549321

SCHEMBL11549321

CCCCCCCCc1ccc(-c2ccc(OC(=O)c3ccc(CCCCCC)cc3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.66
MAPT P10636 3/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
ALDH1A1 P00352 1/20 0.66
RARA P10276 1/20 0.66
MTOR P42345 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.65
THRB P10828 8/20 0.59
THRA P10827 6/20 0.59
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
NPC1 O15118 1/20 0.53
LMNA P02545 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
SCHEMBL11551572 1.00 RARB (0.66) RARBMAPTMEN1KMT2AALDH1A1
SCHEMBL11552789 1.00 RARB (0.66) RARBMAPTMEN1KMT2AALDH1A1
SCHEMBL11550621 1.00 RARB (0.66) RARBMAPTMEN1KMT2AALDH1A1
SCHEMBL9856064 1.00 RARB (0.66) RARBMAPTMEN1KMT2AALDH1A1
SCHEMBL11545763 1.00 RARB (0.66) RARBMAPTMEN1KMT2AALDH1A1
SCHEMBL11551026 1.00 RARB (0.66) RARBMAPTMEN1KMT2AALDH1A1
SCHEMBL11554229 1.00 RARB (0.66) RARBMAPTMEN1KMT2AALDH1A1
SCHEMBL11547651 1.00 RARB (0.66) RARBMAPTMEN1KMT2AALDH1A1
SCHEMBL11547546 1.00 RARB (0.66) RARBMAPTMEN1KMT2AALDH1A1
SCHEMBL9799875 1.00 RARB (0.66) RARBMAPTMEN1KMT2AALDH1A1

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