SCHEMBL6070144

SCHEMBL6070144

COc1cc(C2OCCO2)c(Br)c(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.40
PTPN1 P18031 1/20 0.39
ACHE P22303 1/20 0.39
PTAFR P25105 2/20 0.38
MYB P10242 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL8683153 0.84 EGFR (0.39) EGFRPTPN1PTAFRMYBALDH1A1
SCHEMBL27841070 0.83 TUBB4A (0.38) PTPN1ACHEMYBALDH1A1SMN1; SMN2
SCHEMBL29654713 0.77 HTR2C (0.45)
SCHEMBL515378 0.77 HTR2C (0.45)
SCHEMBL24140811 0.77 KMT2A (0.45) ALDH1A1SMN1; SMN2
SCHEMBL18088486 0.77 NPC1 (0.41) ACHEALDH1A1TSHRSMN1; SMN2
SCHEMBL6711039 0.76 HTR2C (0.56)
SCHEMBL1307935 0.74 ALOX15 (0.37) PTPN1ACHEPTAFRALDH1A1
SCHEMBL15932530 0.74 NPC1 (0.38) PTPN1ACHEPTAFRALDH1A1TSHR
SCHEMBL18840154 0.73 HTR2A (0.38) ALDH1A1RXFP1

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
WO-2006067416-A1 CHEMICAL PROCESSES AND INTERMEDIATES ASTRAZENECA AB (SE) 2006-06-29 WO disclosed