SCHEMBL7897872

SCHEMBL7897872

C=C(C)C(=O)OC(COc1c(Br)cc(Br)cc1C(C)(C)c1cc(Br)cc(Br)c1OCC(OC(=O)C(=C)C)OC(=O)C(=C)C)OC(=O)C(=C)C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
THRA P10827 2/20 0.32
THRB P10828 2/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 1/20 0.31
MAPT P10636 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL30340743 0.80 THRB (0.38) THRATHRBTSHRHSD17B10MAPT
SCHEMBL1837592 0.79 HSD17B10 (0.37) ALDH1A1HSD17B10MAPTPTGDR2
SCHEMBL8957697 0.76 ALDH1A1 (0.46) ALDH1A1THRATHRBTSHRHSD17B10
SCHEMBL10604795 0.74 HSD17B10 (0.36) ALDH1A1THRATHRBTSHRHSD17B10
SCHEMBL11173040 0.71 ALDH1A1 (0.33) ALDH1A1THRATHRBTSHR
SCHEMBL9807440 0.71 ALDH1A1 (0.66) ALDH1A1TSHRMAPT
SCHEMBL7620486 0.71 HSD17B10 (0.37) ALDH1A1HSD17B10MAPTPTGDR2
SCHEMBL10607457 0.70 TSHR (0.46) THRATHRBTSHRHSD17B10MAPT
SCHEMBL1893078 0.70 MTNR1A (0.38) THRATHRB
SCHEMBL14173194 0.70 ALDH1A1 (0.47) ALDH1A1THRATHRBTSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6184323-B1 FOR OPHTHALMIC LENSES ESSILOR INTERNATIONAL-COMPAGNIE GENERALE D'OPTIQUE (FR) 2001-02-06 US disclosed