SCHEMBL7777398

SCHEMBL7777398

Oc1ccc(-c2cc(O)ccc2Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.48
ESR2 Q92731 7/20 0.48
HSD17B10 Q99714 1/20 0.45
ABL1 P00519 2/20 0.45
ABCB1 P08183 2/20 0.45
BCR P11274 2/20 0.45
PELI1 Q96FA3 1/20 0.44
USP7 Q93009 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
ESRRB O95718 1/20 0.43
ESRRA P11474 1/20 0.43
ALOX15 P16050 1/20 0.42
ALOX5 P09917 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL27993217 0.88 ALOX15 (0.52) ESR1ESR2ABL1ABCB1BCR
SCHEMBL1026674 0.86 ALOX5 (0.59) ESR1ESR2HSD17B10ABL1ABCB1
SCHEMBL9440083 0.85 ESR1 (0.46) ESR1ESR2HSD17B10ALOX15ALOX5
SCHEMBL7777345 0.82 ESR2 (0.57) ESR1ESR2HSD17B10ABL1ABCB1
SCHEMBL6638817 0.81 HSD17B10 (0.50) ESR1ESR2HSD17B10ABL1ABCB1
SCHEMBL5859637 0.80 HSD17B1 (0.54) ESR1ESR2HSD17B10PELI1HSD17B1
SCHEMBL7778332 0.78 ESR2 (0.57) ESR1ESR2HSD17B10ABL1ABCB1
SCHEMBL11288181 0.76 ALDH1A1 (0.65) ESR1ESR2HSD17B10ABL1ABCB1
SCHEMBL2770537 0.75 PELI1 (0.57) ESR1ESR2HSD17B10ABL1ABCB1
SCHEMBL28542905 0.75 S100A4 (0.48) ALOX15MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121125-A1 PHARMACEUTICAL FORMULATIONS FOR USE IN ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 2001-08-08 EP claimed
WO-2000021535-A1 PHARMACEUTICAL FORMULATIONS FOR USE IN ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 2000-04-20 WO claimed
EP-1121125-A1 PHARMACEUTICAL FORMULATIONS FOR USE IN ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 2001-08-08 EP disclosed
WO-2000021535-A1 PHARMACEUTICAL FORMULATIONS FOR USE IN ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 2000-04-20 WO disclosed