SCHEMBL28301910

SCHEMBL28301910

Cc1cc(C)c(C(=O)O)c(C)c1.O=[PH](c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 1/20 0.39
ACHE P22303 1/20 0.39
METAP2 P50579 1/20 0.39
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
TPMT P51580 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AKR1C3 P42330 1/20 0.36

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
SCHEMBL28323807 0.90 KMT2A (0.38) KDM4EL3MBTL1METAP2ALDH1A1SMN1; SMN2
SCHEMBL28388430 0.86 KMT2A (0.46) L3MBTL1ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL29074531 0.86 KDM4E (0.40) KDM4EL3MBTL1CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL28990185 0.83 CES2 (0.49) LMNAMEN1KMT2AHPGD
SCHEMBL27187028 0.81 ALOX5 (0.44) KDM4EL3MBTL1ALDH1A1LMNAMEN1
SCHEMBL1377101 0.80 ACHE (0.41) KDM4EACHEALDH1A1LMNAPOLB
SCHEMBL21870 0.80 KDM4E (0.55) KDM4EL3MBTL1CYP3A4ACHEALDH1A1
SCHEMBL377596 0.80 KDM4E (0.55) KDM4EL3MBTL1CYP3A4ACHEALDH1A1
SCHEMBL954446 0.80 LMNA (0.44) KDM4EL3MBTL1ALDH1A1MAPK1SMN1; SMN2
Benzoic Acid SCHEMBL16103449 0.79 DAO (0.56) KDM4EL3MBTL1ALDH1A1SMN1; SMN2POLB

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-109880024-B Hydrogel for three-dimensional photocuring molding 3D printing and preparation method thereof 西安工业大学 2021-08-31 CN claimed
CN-109880024-B Hydrogel for three-dimensional photocuring molding 3D printing and preparation method thereof 西安工业大学 2021-08-31 CN disclosed
CN-109880024-A A kind of stereolithography apparatus 3D printing hydrogel and preparation method thereof 西安工业大学 2019-06-14 CN disclosed