SCHEMBL11549020

SCHEMBL11549020

CCCCCc1ccc(-c2ccc(C(=O)Oc3ccc(CCCC)cc3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.65
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ RARB P10826 7/20 0.63
▸ MEN1 O00255 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ RARA P10276 1/20 0.61
▸ MTOR P42345 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ THRB P10828 6/20 0.58
▸ THRA P10827 3/20 0.56
▸ NPC1 O15118 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 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
SCHEMBL11550712 1.00 MAPT (0.65) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL11555315 1.00 MAPT (0.65) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL11548632 0.99 RARB (0.64) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL11548588 0.99 RARB (0.64) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL11551935 0.99 RARB (0.64) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL11547490 0.99 RARB (0.64) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL11551030 0.99 RARB (0.64) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL11546135 0.99 RARB (0.64) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL11551848 0.99 RARB (0.64) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL11547828 0.99 RARB (0.64) MAPTSMN1; SMN2RARBMEN1ALDH1A1

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 3 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 claimed
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
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