SCHEMBL9809353

SCHEMBL9809353

COc1ccc(C(=O)CCCCCCCCCCCCCCCCCC(C)=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.69
HDAC1 Q13547 5/20 0.69
PDE4B Q07343 1/20 0.68
MAPT P10636 1/20 0.60
NPC1 O15118 2/20 0.57
RAB9A P51151 1/20 0.57
MMP1 P03956 1/20 0.57
HDAC3 O15379 3/20 0.56
HDAC4 P56524 3/20 0.56
HDAC7 Q8WUI4 3/20 0.56
HDAC2 Q92769 3/20 0.56
HDAC10 Q969S8 3/20 0.56
HDAC11 Q96DB2 3/20 0.56
HDAC6 Q9UBN7 3/20 0.56
HDAC9 Q9UKV0 3/20 0.56
HDAC5 Q9UQL6 3/20 0.56
GSK3B P49841 1/20 0.56
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL14960056 1.00 HDAC8 (0.69) HDAC8HDAC1PDE4BMAPTNPC1
SCHEMBL7928597 0.98 PDE4B (0.70) HDAC8HDAC1PDE4BMAPTNPC1
SCHEMBL14960046 0.95 PDE4B (0.75) HDAC8HDAC1PDE4BMAPTNPC1
SCHEMBL3171960 0.91 PDE4B (0.79) HDAC8HDAC1PDE4BMAPTNPC1
SCHEMBL6283202 0.87 MMP1 (0.67) HDAC8HDAC1PDE4BMAPTNPC1
SCHEMBL4082864 0.87 PDE4B (0.86) HDAC8HDAC1PDE4BMAPTNPC1
SCHEMBL7392111 0.86 HDAC8 (0.69) HDAC8HDAC1PDE4BMAPTNPC1
SCHEMBL10865339 0.86 HDAC8 (0.69) HDAC8HDAC1PDE4BMAPTNPC1
SCHEMBL7993440 0.86 HDAC8 (0.69) HDAC8HDAC1PDE4BMAPTNPC1
SCHEMBL3104200 0.86 PDE4B (0.90) HDAC8HDAC1PDE4BMAPTNPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985485-A HYDROTALCITE RHONE-POULENC CHIMIE (FR) 1991-01-15 US disclosed
US-4956436-A POLYSILOXANES WITH A CROSSLINKING AGENT AND A CATALYTIC ORGANOTIN COMPOUND RHONE-POULENC CHIMIE (FR) 1990-09-11 US disclosed
US-4954539-A CONTAINING DIHYDROXYDIORGANOPOLYSILOXANE, ORGANOHYDROPOLYSILOXANE, POLYVINYL ALCOHOL, NONIONIC EMULSIFIERS, TIN CROSSLINKING CATALYST RHONE-POULENC CHIMIE (FR) 1990-09-04 US disclosed
US-4921896-A RED PHOSPHORUS, LANTHANIDE, TALC, ZINC SULFIDE OR ZINC OXIDE RHONE-POULENC CHIMIE (FR) 1990-05-01 US disclosed
US-4612339-A YTTRIUM OR LANTHANDIDE COMPOUND; AMMONIUM, ALKALI OR ALKALINE EARTH METAL HALIDE RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1986-09-16 US disclosed
US-4267083-A ADDING AN ORGANOMETALLIC SALT, DIKETONE, AND SUBSTITUTED DIHYDROPYRIDINE RHONE-POULENC INDUSTRIES (FR) 1981-05-12 US disclosed