SCHEMBL21768322

SCHEMBL21768322

O=C(OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)O[C@H](CO)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.43
▸ LGALS3 P17931 2/20 0.42
▸ LGALS9 O00182 1/20 0.42
▸ LGALS1 P09382 1/20 0.42
▸ LGALS7; LGALS7B P47929 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ PTPN1 P18031 1/20 0.39
▸ SELP P16109 7/20 0.39
▸ SELE P16581 1/20 0.38
▸ LGALS4 P56470 1/20 0.36
▸ USP2 O75604 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ANTXR2 P58335 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TMPRSS2 O15393 1/20 0.34
▸ PDE5A O76074 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34

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
SCHEMBL11032155 0.91 EPHX2 (0.51) EPHX2LGALS3LGALS9LGALS1LGALS7; LGALS7B
SCHEMBL14906687 0.90 MAPT (0.49) MAPTPTPN1USP2MEN1POLB
SCHEMBL14903566 0.90 MAPT (0.49) MAPTPTPN1USP2MEN1POLB
SCHEMBL343136 0.90 MAPT (0.49) MAPTPTPN1USP2MEN1POLB
SCHEMBL10310585 0.90 MAPT (0.49) MAPTPTPN1USP2MEN1POLB
SCHEMBL10310560 0.90 MAPT (0.49) MAPTPTPN1USP2MEN1POLB
SCHEMBL14680922 0.89 MAPT (0.50) MAPTPTPN1USP2MEN1POLB
SCHEMBL14679917 0.89 MAPT (0.50) MAPTPTPN1USP2MEN1POLB
SCHEMBL22774113 0.87 MAPT (0.46) MAPTPTPN1USP2MEN1POLB
SCHEMBL20724710 0.86 MAPT (0.46) EPHX2MAPTPTPN1USP2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3614991-A1 REDUCING THE TURBIDITY OF NAIL VARNISH International Lacquers S.A. (LU) 2020-03-04 — — EP claimed
WO-2023166943-A1 RESIN COMPOSITION, APPLICATION THEREOF, AND MOLDING METHOD THEREFOR 大阪ガスケミカル株式会社 2023-09-07 — — WO disclosed
EP-3614991-A1 REDUCING THE TURBIDITY OF NAIL VARNISH International Lacquers S.A. (LU) 2020-03-04 — — EP disclosed
Send feedback