Sugi Predict

Sugi Predict / Compounds / Deaminohydroxyvaline

Deaminohydroxyvaline

Deaminohydroxyvaline

SCHEMBL15324671

CC(C)C(O)C(=O)O.CC(C)C(O)C(=O)O.CCCC(O)C(=O)O.CCCC(O)C(=O)O.O=CO.O=CO.OCC(O)CO.OCC(O)CO

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 3/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ OR51E2 Q9H255 1/20 0.35
▸ CHRM1 P11229 1/20 0.33
▸ AKR1A1 P14550 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TET2 Q6N021 3/20 0.32
▸ KDM4A O75164 2/20 0.32
▸ KDM4C Q9H3R0 2/20 0.32
▸ KDM2A Q9Y2K7 2/20 0.32
▸ TET3 O43151 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
Deaminohydroxyvaline SCHEMBL15324291 0.91 GPR84 (0.33) GPR84FFAR1TET2KDM4AKDM4C
Deaminohydroxyvaline SCHEMBL15324660 0.87 GPR84 (0.31) GPR84FFAR1
Malonic Acid SCHEMBL15323743 0.84 GPR84 (0.42) GPR84FFAR1OR51E2CHRM1AKR1A1
Malonic Acid SCHEMBL15323198 0.83 GPR84 (0.41) GPR84FFAR1OR51E2CHRM1AKR1A1
Deaminohydroxyvaline SCHEMBL15323262 0.80 PDE4A (0.34) OR51E2PDE4ATSHR
Deaminohydroxyvaline SCHEMBL15323665 0.79 PDE4A (0.33) OR51E2PDE4ATSHR
Deaminohydroxyvaline SCHEMBL8460958 0.74 GPR84 (0.64) GPR84FFAR1TET2KDM4AKDM4C
Deaminohydroxyvaline SCHEMBL15322556 0.73 TET2 (0.46) GPR84FFAR1CHRM1AKR1A1CHRM3
SCHEMBL991839 0.73 — —
SCHEMBL360594 0.73 — —

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-2836833-A1 PRENATAL SCREENING FOR DOWN SYNDROME AND TRISOMY 18 Wayne State University (US) 2015-02-18 — — EP disclosed
WO-2013155456-A1 PRENATAL SCREENING FOR DOWN SYNDROME AND TRISOMY 18 WAYNE STATE UNIVERSITY (US) 2013-10-17 — — WO disclosed