SCHEMBL16772463

SCHEMBL16772463

CCCSc1ccc2c(-c3c(O)ccc4cc(SCCC)ccc34)c(O)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
AR P10275 2/20 0.38
CYP1A2 P05177 4/20 0.37
CYP3A4 P08684 4/20 0.37
CYP2C9 P11712 4/20 0.37
CYP2C19 P33261 4/20 0.37
HSD17B1 P14061 4/20 0.37
HSD17B2 P37059 4/20 0.37
CYP2D6 P10635 3/20 0.37
CYP2B6 P20813 3/20 0.37
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL9360680 0.79 CA12 (0.44) CA12CA1CA2CA7CA13
SCHEMBL3719385 0.74 CA2 (0.43) CA12CA1CA2CA7CA13
SCHEMBL18033012 0.73 CA12 (0.35) CA12CA1CA2CA7CA13
SCHEMBL16519479 0.72 AR (0.46) ARCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10866492 0.71 CNR2 (0.54) CA12CA1CA2CA7CA13
SCHEMBL11249663 0.70 CA12 (0.47) CA12CA1CA2CA7CA13
SCHEMBL12259992 0.69 CNR2 (0.46) ARMAOAMAOBCNR2
SCHEMBL12260001 0.69 CNR2 (0.46) ARMAOAMAOBCNR2
SCHEMBL12278285 0.69 CNR2 (0.46) ARMAOAMAOBCNR2
SCHEMBL9364534 0.69 AR (0.44) ARCYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180030161-A1 COMPOSITION KIT, LAMINATE AND METHOD FOR PRODUCING SAME, AND BANDPASS FILTER FUJIFILM CORPORATION (JP) 2018-02-01 US disclosed
US-20180030161-A1 COMPOSITION KIT, LAMINATE AND METHOD FOR PRODUCING SAME, AND BANDPASS FILTER FUJIFILM CORPORATION (JP) 2018-02-01 US disclosed
EP-3270196-A1 COMPOSITION KIT, LAYERED BODY AND METHOD FOR MANUFACTURING SAME, AND BANDPASS FILTER FUJI-FILM Corporation (JP) 2018-01-17 EP disclosed
US-20150152332-A1 LIQUID CRYSTAL COMPOSITION, POLYMER, FILM, AND CHOLESTERIC LIQUID CRYSTAL FUJIFILM CORPORATION (JP) 2015-06-04 US disclosed
US-20150152332-A1 LIQUID CRYSTAL COMPOSITION, POLYMER, FILM, AND CHOLESTERIC LIQUID CRYSTAL FUJIFILM CORPORATION (JP) 2015-06-04 US disclosed