SCHEMBL4471799

SCHEMBL4471799

Oc1c(F)cc(C(c2cc(F)c(O)c(F)c2)c2cc(F)c(O)c(F)c2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
ERN1 O75460 1/20 0.34
VRK1 Q99986 2/20 0.33
DBH P09172 1/20 0.33
RPS6KA3 P51812 1/20 0.32
SHBG P04278 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
MEP1B Q16820 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CA3 P07451 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31

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
SCHEMBL1596154 0.92 SHBG (0.37) ADRB2ADRB1ADRB3ESR1ESR2
SCHEMBL834372 0.86 RPS6KA3 (0.39) ADRB2ADRB1ADRB3ESR1ESR2
SCHEMBL836444 0.86 SLC6A2 (0.41) RPS6KA3
SCHEMBL1597063 0.82 CYP1A2 (0.48) ADRB2ADRB1ADRB3ESR1ESR2
SCHEMBL3279640 0.80 ADRB2 (0.38) ADRB2ADRB1ADRB3ESR1ESR2
SCHEMBL7916578 0.78 ADRB2 (0.46) ADRB2ADRB1ADRB3ESR1ESR2
SCHEMBL99223 0.78 GABRA1 (0.54) ADRB2ADRB1ADRB3RPS6KA3GABRA1
SCHEMBL1596959 0.78 PTGS1 (0.37) ADRB2ADRB1ADRB3SHBG
SCHEMBL8147974 0.76 ADRB2 (0.40) ADRB2ADRB1ADRB3ESR1ESR2
SCHEMBL8145693 0.76 ADRB2 (0.40) ADRB2ADRB1ADRB3ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582355-B2 Optical unit using plastic lenses FUJIFILM CORPORATION (JP) 2009-09-01 US disclosed
US-20060046065-A1 Optical unit using plastic lenses FUJI PHOTO FILM CO., LTD. 2006-03-02 US disclosed
US-6288204-B1 CONDENSATION POLYMERIZATION OF BISPHENOL A, TRIHYDRIC PHENOL, AND PHOSGENE; ADDING TETRAAMMONIUM SALT AND MONOHYDRIC PHENOL FOR MOLECULAR WEIGHT CONTROL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2001-09-11 US disclosed