SCHEMBL9681011

SCHEMBL9681011

O=C(CCc1ccc(C=Cc2ccc(Br)cc2)cc1)CCc1ccc(C=Cc2ccc(Br)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
PDPK1 O15530 1/20 0.47
PLAAT3 P53816 1/20 0.46
PLAAT5 Q96KN8 1/20 0.46
PLAAT2 Q9NWW9 1/20 0.46
PLAAT4 Q9UL19 1/20 0.46
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CYP24A1 Q07973 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
PPARD Q03181 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
HTR2A P28223 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
SCHEMBL9678839 0.89 HDAC1 (0.46) HDAC1HDAC6PDPK1PLAAT3PLAAT5
SCHEMBL4484073 0.88 FFAR1 (0.53) PDPK1FFAR1FFAR4BCHEACHE
SCHEMBL9680364 0.88 HDAC1 (0.45) HDAC1HDAC6PDPK1PLAAT3PLAAT5
Hydrochloric Acid SCHEMBL27881428 0.86 FFAR1 (0.51) PDPK1FFAR1FFAR4BCHEACHE
SCHEMBL9680739 0.82 MMP12 (0.55) PDPK1FFAR1FFAR4HTR2ATAAR1
SCHEMBL9679415 0.81 GPR183 (0.47) LMNAMAPTMAOAMAOBESR1
SCHEMBL12144575 0.81 FFAR1 (0.59) HDAC1HDAC6PDPK1PLAAT3PLAAT5
SCHEMBL9709577 0.79 IAPP (0.59) HDAC1HDAC6PDPK1FFAR1FFAR4
SCHEMBL11217816 0.79 CNR1 (0.54) HDAC1HDAC6PLAAT3PLAAT5PLAAT2
SCHEMBL25907921 0.79 FFAR1 (0.46) PDPK1PLAAT3PLAAT5PLAAT2PLAAT4

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