SCHEMBL6697193

SCHEMBL6697193

CCCCC(O)(CC)C(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.50
HDAC3 O15379 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MAPT P10636 3/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 3/20 0.42
LMNA P02545 3/20 0.42
ALOX15 P16050 1/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SRD5A2 P31213 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
SCHEMBL6699980 0.84 CA2 (0.46) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL9355823 0.83 HDAC3 (0.35) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL10384322 0.83 HTR7 (0.51) HDAC1HDAC3HDAC2RAB9ANPC1
SCHEMBL6696379 0.83 HDAC3 (0.45) HDAC1HDAC3HDAC2MAPTALDH1A1
SCHEMBL6692640 0.82 GAA (0.48) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10600658 0.81 THRA (0.38) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL10385989 0.80 HDAC3 (0.48) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL6702050 0.80 USP5 (0.41) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL10384783 0.80 HDAC1 (0.48) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL4415992 0.80 MLYCD (0.35) HDAC8HDAC6MAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077744-A1 Irradiation polymerization of acrylamide and/or monomer blends in the presence of photoinintiators, to form water soluble polymers used as flocculants, flow control agents, coagulants, dispersants, superabsorbents or binders CIBA SPECIALTY CHEMICALS WATER TREATMENTS LIMITED (GB) 2004-04-22 US disclosed
EP-1368382-A1 POLYMERISATION PROCESS Ciba Specialty Chemicals Water Treatments Limited (GB) 2003-12-10 EP disclosed
WO-2002066520-A1 POLYMERISATION PROCESS CIBA SPECIALTY CHEMICALS WATER TREATMENTS LIMITED (GB) 2002-08-29 WO disclosed
US-4960746-A A-HYDROXY-OR A-AMINO-ACETOPHENONES AND A TITANOCENE COMPOUND SUBSTITUTED BY FLUORINE CIBA-GEIGY CORPORATION (US) 1990-10-02 US disclosed
US-4721734-A PHOTOPOLYMERIZATION OF UNSATURATED COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-01-26 US disclosed
US-4547394-A PHOTOINITIATORS FOR PHOTOPOLYMERIZATION MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-10-15 US disclosed
US-4477681-A PHOTOPOLYMERIZATION AND HARDENING OF PRINTING DYES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-10-16 US disclosed
US-4347111-A PHOTOPOLYMERIZATION OF UNSATURATED COMPOUNDS, HARDENING OF PRINTING DYES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-08-31 US disclosed