Deaminohydroxyvaline

SCHEMBL15324660

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

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1 MMP13 MMP7 MMP8 pol rplA rplB rplC rplD rplE rplF rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rplY rpmA rpmB rpmC rpmD rpmE rpmF rpmG rpmH rpmI rpmJ rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsS rpsT rpsU ykgM ykgO

The experimentally established mechanism targets of Deaminohydroxyvaline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	GPR84	Q9NQS5	7/20	0.31

▸	FFAR1	O14842	1/20	0.31

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.

Compound	similarity	top predicted	shared targets
Deaminohydroxyvaline SCHEMBL15324291	0.96	GPR84 (0.33)	GPR84FFAR1
Deaminohydroxyvaline SCHEMBL15324671	0.87	GPR84 (0.40)	GPR84FFAR1
Deaminohydroxyvaline SCHEMBL15324323	0.85	TET2 (0.32)	—
Malonic Acid SCHEMBL15323743	0.84	GPR84 (0.42)	GPR84FFAR1
Malonic Acid SCHEMBL15323198	0.83	GPR84 (0.41)	GPR84FFAR1
Deaminohydroxyvaline SCHEMBL15323262	0.82	PDE4A (0.34)	—
Deaminohydroxyvaline SCHEMBL15323665	0.80	PDE4A (0.33)	—
3-Hydroxybutyric Acid, (+/-)- SCHEMBL8412698	0.76	GPR84 (0.50)	GPR84FFAR1
Deaminohydroxyvaline SCHEMBL15322990	0.74	—	—
3-Hydroxybutyric Acid, (+/-)- SCHEMBL15322333	0.74	SLC22A6 (0.32)	—

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
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