SCHEMBL8520642

SCHEMBL8520642

COCOc1ccc2c(c1)OCC(c1ccc(OC(C)O)cc1)C2(O)c1ccc(O)cc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.34
KCNH2 Q12809 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
TTR P02766 1/20 0.31
ALOX15 P16050 1/20 0.30
ALOX12 P18054 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
SCHEMBL5856395 0.92 PTPN1 (0.37) PTPN1KCNH2TRPV1ESR1ESR2
SCHEMBL8521150 0.90 PTPN1 (0.34) PTPN1KCNH2TRPV1
SCHEMBL7588462 0.83 ESR1 (0.31) ESR1ESR2
SCHEMBL7589438 0.81 PTPN1 (0.37) PTPN1KCNH2TRPV1ESR1ESR2
SCHEMBL7587802 0.80 PPARG (0.33) PTPN1KCNH2TRPV1
SCHEMBL7589364 0.79 PPARG (0.33) PTPN1KCNH2TRPV1
SCHEMBL5854628 0.78 PPARG (0.32) PTPN1
SCHEMBL5856143 0.78 PPARG (0.32) PTPN1
SCHEMBL2570060 0.78 ALOX15 (0.44) KCNH2TRPV1ESR1ESR2TTR
SCHEMBL7588458 0.77 ESR1 (0.43) KCNH2ESR1ESR2

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
EP-0944613-A1 NOVEL BENZOPYRAN DERIVATIVES C & C Research Laboratories (KR) 1999-09-29 EP disclosed
WO-1998025916-A1 NOVEL BENZOPYRAN DERIVATIVES C & C RESEARCH LABORATORIES (KR) 1998-06-18 WO disclosed