SCHEMBL9680690

SCHEMBL9680690

C=Cc1ccc(CCCCC(=O)CCCCc2ccc(C=C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.44
THRA P10827 6/20 0.44
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL9680242 0.94 BCHE (0.42) THRBTHRAMEN1KMT2ABCHE
SCHEMBL10605312 0.89 THRB (0.48) THRBTHRAMAPTRXFP1MEN1
SCHEMBL3196140 0.87 MAPT (0.59) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL9679627 0.86 BCHE (0.53) THRBBCHEACHEALDH1A1
SCHEMBL3628000 0.86 MAPT (0.62) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL3626621 0.86 HDAC1 (0.42) THRBTHRAMAPTRXFP1MEN1
SCHEMBL5180251 0.86 MAPT (0.62) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL8609378 0.86 MAPT (0.44) THRBTHRAMAPTRXFP1MEN1
SCHEMBL5078015 0.86 MAPT (0.62) MAPTRXFP1HDAC1HDAC2HDAC3
Hydrochloric Acid SCHEMBL3626622 0.86 MAPT (0.58) MAPTRXFP1HDAC1HDAC2HDAC3

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-5136013-A Polyesters BAYER AKTIENGESELLSCHAFT (DE) 1992-08-04 US disclosed
US-5068300-A BIFUNCTIONAL STILBENE COMPOUNDS CONTAINING AT LEAST ONE Z-CONFIGURATED STILBENE GROUP, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF POLYMERS BAYER AKTIENGESELLSCHAFT (DE) 1991-11-26 US disclosed