SCHEMBL6692949

SCHEMBL6692949

CCCCCCc1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 10/20 0.59
THRB P10828 10/20 0.59
RARB P10826 5/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 1/20 0.59
RARA P10276 1/20 0.59
MAPT P10636 1/20 0.59
MTOR P42345 1/20 0.59
PLA2G1B P04054 3/20 0.55
ATG4B Q9Y4P1 3/20 0.55

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
SCHEMBL10713905 1.00 THRA (0.59) THRATHRBRARBMEN1KMT2A
SCHEMBL6702544 1.00 THRA (0.59) THRATHRBRARBMEN1KMT2A
SCHEMBL195074 1.00 THRA (0.59) THRATHRBRARBMEN1KMT2A
SCHEMBL151548 1.00 THRA (0.59) THRATHRBRARBMEN1KMT2A
SCHEMBL3279886 1.00 THRA (0.59) THRATHRBRARBMEN1KMT2A
SCHEMBL10712859 1.00 THRA (0.59) THRATHRBRARBMEN1KMT2A
SCHEMBL10943082 0.95 THRA (0.55) THRATHRBRARBMEN1KMT2A
SCHEMBL195630 0.93 RARB (0.57) THRATHRBRARBMEN1KMT2A
SCHEMBL5705633 0.90 THRA (0.50) THRATHRBRARBMEN1KMT2A
SCHEMBL10941593 0.89 RARB (0.53) THRATHRBRARBMEN1KMT2A

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 7 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-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