SCHEMBL8523339

SCHEMBL8523339

Brc1cccc(Br)c1.C(OCC1CO1)C1CO1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TSHR P16473 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
HIF1A Q16665 1/20 0.52
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 1/20 0.42
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
IDO1 P14902 2/20 0.36
AGXT P21549 2/20 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
Bromobenzene SCHEMBL10488439 0.86 TDP1 (0.55) ALDH1A1TSHRSMN1; SMN2TP53CYP3A4
SCHEMBL27432297 0.84 TSHR (0.48) ALDH1A1TSHRSMN1; SMN2TP53CYP3A4
SCHEMBL674203 0.81 ALDH1A1 (0.47) ALDH1A1TSHRSMN1; SMN2TP53CYP3A4
SCHEMBL29847376 0.80 ALDH1A1 (0.77) ALDH1A1TSHRSMN1; SMN2TP53CYP3A4
SCHEMBL30567872 0.80 ALDH1A1 (0.77) ALDH1A1TSHRSMN1; SMN2TP53CYP3A4
SCHEMBL16059198 0.80 ALDH1A1 (0.77) ALDH1A1TSHRSMN1; SMN2TP53CYP3A4
SCHEMBL15819333 0.80 ALDH1A1 (0.77) ALDH1A1TSHRSMN1; SMN2TP53CYP3A4
SCHEMBL8188849 0.80 ALDH1A1 (0.77) ALDH1A1TSHRSMN1; SMN2TP53CYP3A4
SCHEMBL1565563 0.80 TDP1 (0.52) ALDH1A1TSHRSMN1; SMN2TP53CYP3A4
SCHEMBL3681261 0.78 TSHR (0.44) ALDH1A1TSHRSMN1; SMN2TP53CYP3A4

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
EP-0605937-B1 Antistatic resin composition DAISO CO LTD (JP) 1997-06-11 EP claimed
EP-0659790-B1 High-speed polymerizable resin composition and lenses obtained therefrom MITSUI CHEMICALS INC (JP) 1999-05-06 EP disclosed
US-5578658-A CURIED ADDITION-CONDENSATION THIOURETHANE COPOLYMER; HIGH REFRACTIVE INDEX, DISCOLORATION INHIBITION, HARDNESS MITSUI TOATSU CHEMICALS, INC. (JP) 1996-11-26 US disclosed
EP-0659790-A1 High-speed polymerizable resin composition and lenses obtained therefrom MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-06-28 EP disclosed
EP-0605937-A1 Antistatic resin composition DAISO CO., LTD. (JP) 1994-07-13 EP disclosed