SCHEMBL11548987

SCHEMBL11548987

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
RARB P10826 6/20 0.58
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
RARA P10276 1/20 0.57
MTOR P42345 1/20 0.57
KMT2A Q03164 1/20 0.57
THRB P10828 3/20 0.55
THRA P10827 1/20 0.52
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
PLK1 P53350 1/20 0.49
PLK3 Q9H4B4 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL11556432 1.00 MAPT (0.64) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL11552110 1.00 MAPT (0.64) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL11550519 0.99 MAPT (0.63) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL11551054 0.99 MAPT (0.63) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL11550905 0.99 MAPT (0.63) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL11546539 0.99 MAPT (0.63) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL11549378 0.99 MAPT (0.63) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL11598858 0.99 MAPT (0.63) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL11550560 0.99 MAPT (0.63) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL11553690 0.99 MAPT (0.63) 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