SCHEMBL21593883

SCHEMBL21593883

CC1(C(=O)OCC(O)COC(=O)C2(C)CC3C=CC2C3)CC2C=CC1C2

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.35
P2RX7 Q99572 1/20 0.35
PKM P14618 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
PRKCA P17252 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
SCHEMBL1451060 0.88 CETP (0.37) CETPP2RX7CYP2D6CYP2C19PRKCA
SCHEMBL21593888 0.86 PRKCA (0.40) CETPP2RX7CYP2D6CYP2C19PRKCA
SCHEMBL13088783 0.83
SCHEMBL200228 0.83 CYP2C19 (0.40) CETPP2RX7CYP2D6CYP2C19
SCHEMBL21593924 0.82 PRKCA (0.49) CETPP2RX7CYP2D6CYP2C19PRKCA
SCHEMBL21593923 0.81 P2RX7 (0.36) CETPP2RX7CYP2D6CYP2C19
SCHEMBL14628487 0.81 P2RX7 (0.36) CETPP2RX7CYP2D6CYP2C19
SCHEMBL201163 0.81 CYP2D6 (0.38) CETPP2RX7CYP2D6CYP2C19
SCHEMBL4253408 0.81 P2RX7 (0.36) CETPP2RX7CYP2D6CYP2C19
SCHEMBL5184481 0.80 P2RX7 (0.37) CETPP2RX7CYP2D6CYP2C19

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-3807286-B1 DEGRADABLE SILANE HAVING THIO AND AMINO GROUPS, SILICIC ACID POLYCONDENSATES AND HYBRID POLYMERS PRODUCED THEREFROM, USE THEREOF AND METHOD FOR PRODUCING THE SILANES FRAUNHOFER GES FORSCHUNG (DE) 2023-09-06 EP disclosed
WO-2019238426-A1 DEGRADABLE SILANE HAVING THIO AND AMINO GROUPS, SILICIC ACID POLYCONDENSATES AND HYBRID POLYMERS PRODUCED THEREFROM, USE THEREOF AND METHOD FOR PRODUCING THE SILANES Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2019-12-19 WO disclosed