SCHEMBL30719082

SCHEMBL30719082

COc1c(C(=O)O)ccc(-c2ccc(C(=O)O)cc2)c1OC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
RXRA P19793 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
FOLH1 Q04609 1/20 0.45
PTPN11 Q06124 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SRD5A2 P31213 1/20 0.43
EGFR P00533 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
MAP4K4 O95819 1/20 0.42
HSD17B10 Q99714 1/20 0.41
CHEK1 O14757 1/20 0.41

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
SCHEMBL29152929 1.00 CYP2C8 (0.52) CYP2C8SMN1; SMN2RXRACA1CA2
SCHEMBL21708057 0.87 CYP2C8 (0.50) CYP2C8SMN1; SMN2RXRACA1CA2
SCHEMBL6535902 0.86 SMN1; SMN2 (0.47) CYP2C8SMN1; SMN2FOLH1MAPTTDP1
SCHEMBL2044179 0.83 CA1 (0.51) CYP2C8RXRACA1CA2MAPT
SCHEMBL29788180 0.83 CA1 (0.51) CYP2C8RXRACA1CA2MAPT
SCHEMBL28366198 0.80 CYP2C8 (0.48) CYP2C8SMN1; SMN2FOLH1PTPN11TDP1
SCHEMBL1505827 0.80 TDP1 (0.61) SMN1; SMN2CA1CA2MAPTTDP1
Hydrochloric Acid SCHEMBL2202243 0.78 TDP1 (0.59) SMN1; SMN2CA1CA2MAPTTDP1
SCHEMBL28188288 0.78 CA1 (0.49) CYP2C8RXRACA1CA2EGFR
SCHEMBL15330464 0.76 SMN1; SMN2 (0.47) CYP2C8SMN1; SMN2MAPTAKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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