SCHEMBL7960246

SCHEMBL7960246

O=C1OC2(c3cc(F)c(O)c(F)c3Oc3c2cc(F)c(O)c3F)c2c(F)c(F)c(F)c(F)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.43
RECQL P46063 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
BRCA1 P38398 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 2/20 0.43
BLM P54132 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
HIF1A Q16665 1/20 0.43
GLB1 P16278 1/20 0.43
CTRC Q99895 1/20 0.43
SMAD3 P84022 1/20 0.40
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 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
SCHEMBL3653074 0.81 THRB (0.67) THRBRECQLTDP1ALDH1A1HPGD
SCHEMBL3657084 0.81 THRB (0.67) THRBRECQLTDP1ALDH1A1HPGD
SCHEMBL1644389 0.78 HPGD (0.41) THRBRECQLTDP1ALDH1A1HPGD
SCHEMBL1942341 0.76 MEN1 (0.61) THRBRECQLTDP1ALDH1A1HPGD
SCHEMBL1608876 0.76 HPGD (0.63) RECQLTDP1ALDH1A1HPGDBRCA1
Hydrochloric Acid SCHEMBL25316086 0.75 HPGD (0.62) RECQLTDP1ALDH1A1HPGDBRCA1
SCHEMBL4022672 0.73 ALDH1A1 (0.43) RECQLTDP1ALDH1A1HPGDBRCA1
SCHEMBL7970168 0.72 FTO (0.60) THRBRECQLTDP1ALDH1A1HPGD
SCHEMBL1608886 0.71 HPGD (0.45) THRBRECQLTDP1ALDH1A1HPGD
SCHEMBL1643388 0.71 HPGD (0.40) THRBRECQLTDP1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6229055-B1 SYNTHESIS OF FLUORINATED RESORCINOL WHICH IS USEFUL IN THE PREPARATION OF FLUORINATED FLUORESCEIN AND RHODOL DYES SUITABLE FOR USE AS TRACERS, LABELS, OR INTERMEDIATES MOLECULAR PROBES, INC. 2001-05-08 US disclosed
US-6162931-A Fluorinated xanthene derivatives MOLECULAR PROBES, INC. (US) 2000-12-19 US disclosed