SCHEMBL10770956

SCHEMBL10770956

Oc1cccc2c1nnn2C1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 4/20 0.38
▸ CYP4A11 Q02928 4/20 0.38
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ MAP3K5 Q99683 1/20 0.34
▸ GRM2 Q14416 2/20 0.34
▸ PDE8B O95263 4/20 0.33
▸ HCAR3 P49019 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ATR Q13535 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ RET P07949 1/20 0.32
▸ TP53 P04637 1/20 0.32

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
SCHEMBL31178734 0.83 ATR (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL806435 0.77 USP2 (0.49) HCAR3ALDH1A1USP2LMNAPOLB
SCHEMBL10775612 0.76 ALDH1A1 (0.39) CYP4F2CYP4A11GRM2PDE8BALDH1A1
SCHEMBL10770970 0.76 ALDH1A1 (0.39) CYP4F2CYP4A11GRM2PDE8BALDH1A1
SCHEMBL10775607 0.76 ALDH1A1 (0.39) CYP4F2CYP4A11GRM2PDE8BALDH1A1
SCHEMBL10770782 0.76 ALDH1A1 (0.39) CYP4F2CYP4A11GRM2PDE8BALDH1A1
SCHEMBL10770777 0.76 ALDH1A1 (0.39) CYP4F2CYP4A11GRM2PDE8BALDH1A1
SCHEMBL31178745 0.76 VCP (0.32) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL1141884 0.76 RXRA (0.45) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31190729 0.74 CYP4F2 (0.37) CYP4F2CYP4A11RXRARXRBRXRG

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-0231444-A2 Optically active isomers and racemate of 1-(benztriazol-4-yloxy)-3-[2-(2-methoxyphenoxy)-ethylamino]-2-propanol, process for their preparation as well as their use as medicaments Roche Diagnostics GmbH (DE) 1987-08-12 — — EP claimed
EP-0231444-A2 Optically active isomers and racemate of 1-(benztriazol-4-yloxy)-3-[2-(2-methoxyphenoxy)-ethylamino]-2-propanol, process for their preparation as well as their use as medicaments Roche Diagnostics GmbH (DE) 1987-08-12 — — EP disclosed
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