SCHEMBL7196703

SCHEMBL7196703

C=CCOC(=O)c1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.52
SNCA P37840 1/20 0.47
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CSNK2A2 P19784 1/20 0.40
CSNK2A1 P68400 1/20 0.40
RHOA P61586 1/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TPMT P51580 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL16246769 1.00 CYP3A4 (0.52) CYP3A4SNCAALDH1A1TSHRHSD17B10
SCHEMBL254063 0.92 CYP3A4 (0.59) CYP3A4SNCAALDH1A1TSHRHSD17B10
SCHEMBL4657758 0.86 NPC1 (0.48) CYP3A4ALDH1A1MEN1KMT2AGAA
SCHEMBL2392472 0.86 CYP3A4 (0.54) CYP3A4SNCAALDH1A1TSHRHSD17B10
SCHEMBL175787 0.85 SNCA (0.59) CYP3A4SNCAALDH1A1TSHRHSD17B10
SCHEMBL7139650 0.85 CA12 (0.53) CYP3A4SNCAALDH1A1TSHRHSD17B10
Phosphine SCHEMBL10982972 0.84 CYP3A4 (0.53) CYP3A4SNCAALDH1A1TSHRHSD17B10
Isophthalic Acid SCHEMBL28712224 0.84 CYP3A4 (0.53) CYP3A4SNCAALDH1A1TSHRHSD17B10
SCHEMBL5889080 0.84 CYP2C9 (0.64) CYP3A4SNCAALDH1A1TSHRHSD17B10
SCHEMBL31666355 0.83 CYP3A4 (0.44) CYP3A4SNCAALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117384077-A Novel polymer, diamine compound, liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal display element 日产化学株式会社 2024-01-12 CN disclosed
CN-117384078-A Novel polymer, diamine compound, liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal display element 日产化学株式会社 2024-01-12 CN disclosed
CN-117384076-A Novel polymer, diamine compound, liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal display element 日产化学株式会社 2024-01-12 CN disclosed
CN-111263761-A Novel polymer and diamine compound 日产化学株式会社 2020-06-09 CN disclosed
WO-2003010566-A2 PLASTIC LENS MATERIAL, PLASTIC LENS COMPOSITION, PLASTIC LENS OBTAINED BY CURING THE COMPOSITION AND PROCESS FOR PRODUCING THE PLASTIC LENS SHOWA DENKO K. K. (JP) 2003-02-06 WO disclosed