SCHEMBL6534989

SCHEMBL6534989

CCCCSc1ccc(O)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.50
ESR2 Q92731 7/20 0.50
AR P10275 6/20 0.47
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
THRB P10828 1/20 0.40

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
SCHEMBL10425793 0.93 ESR1 (0.49) ESR1ESR2ARTHRB
SCHEMBL9140756 0.93 ESR1 (0.49) ESR1ESR2ARTHRB
SCHEMBL30726469 0.93 ESR1 (0.49) ESR1ESR2ARTHRB
SCHEMBL30726457 0.93 ESR1 (0.49) ESR1ESR2ARTHRB
SCHEMBL30726472 0.93 ESR1 (0.49) ESR1ESR2ARTHRB
SCHEMBL10938697 0.93 ESR1 (0.49) ESR1ESR2ARTHRB
SCHEMBL22075766 0.93 ESR1 (0.49) ESR1ESR2ARTHRB
SCHEMBL22075892 0.93 ESR1 (0.49) ESR1ESR2ARTHRB
SCHEMBL22075713 0.93 ESR1 (0.49) ESR1ESR2ARTHRB
Butanone SCHEMBL9445997 0.92 ESR1 (0.44) ESR1ESR2ARMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1093417-A4 PROCESSLESS DIRECT WRITE IMAGING MEMBER CONTAINING POLYMER GRAFTED CARBON AND METHODS OF IMAGING AND PRINTING KODAK POLYCHROME GRAPHICS CO (US) 2004-07-14 EP disclosed
EP-1093417-A1 PROCESSLESS DIRECT WRITE IMAGING MEMBER CONTAINING POLYMER GRAFTED CARBON AND METHODS OF IMAGING AND PRINTING Kodak Polychrome Graphics Company Ltd. (US) 2001-04-25 EP disclosed
WO-2000063025-A1 PROCESSLESS DIRECT WRITE IMAGING MEMBER CONTAINING POLYMER GRAFTED CARBON AND METHODS OF IMAGING AND PRINTING KODAK POLYCHROME GRAPHICS COMPANY LTD. (US) 2000-10-26 WO disclosed
US-4077962-A WATER INSOLUBLE, GREEN-YELLOW, SYNTHETIC FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1978-03-07 US disclosed