SCHEMBL21254283

SCHEMBL21254283

COc1ccc(C(CCCCO)(CCCCO)c2ccc(O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 6/20 0.54
▸ ESR1 P03372 5/20 0.54
▸ CALM1 P0DP23 2/20 0.49
▸ LTA4H P09960 1/20 0.47
▸ APP P05067 2/20 0.43
▸ GAA P10253 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ KIF11 P52732 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ P4HB P07237 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ F3 P13726 1/20 0.38
▸ XDH P47989 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ S100B P04271 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
SCHEMBL3185263 0.80 KIF11 (0.58) ESR2ESR1CALM1LTA4HAPP
SCHEMBL7826138 0.78 KIF11 (0.57) LTA4HKIF11KCNH2KMT2A
SCHEMBL8760915 0.78 ESR1 (0.73) ESR2ESR1CALM1LTA4HAPP
SCHEMBL2435306 0.76 ALDH1A1 (0.44) CALM1KIF11KCNH2MAPTRAB9A
SCHEMBL7606639 0.76 KIF11 (0.46) CALM1KIF11KCNH2MEN1ALDH1A1
SCHEMBL7708779 0.74 KIF11 (0.69) KIF11KCNH2
SCHEMBL11673190 0.73 ESR1 (0.88) ESR2ESR1LTA4HALDH1A1
SCHEMBL8972758 0.73 KIF11 (0.68) LTA4HKIF11KCNH2
SCHEMBL10033153 0.73 ESR2 (0.64) ESR2ESR1CALM1LTA4HAPP
Mequinol SCHEMBL10605062 0.72 ESR2 (0.70) ESR2ESR1CALM1LTA4HAPP

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
EP-2980178-B1 SEALANT AND PREPARATION METHOD THEREFOR BOE TECHNOLOGY GROUP CO LTD (CN) 2019-08-14 — — EP disclosed
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