SCHEMBL11298112

SCHEMBL11298112

C/C(=C\C(c1ccccc1)(c1ccccc1)c1ccncc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.42
KIF11 P52732 2/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
KDM4C Q9H3R0 1/20 0.36
CYP2C9 P11712 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
PLOD2 O00469 1/20 0.36
PLOD3 O60568 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
PLOD1 Q02809 1/20 0.36
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HDAC6 Q9UBN7 3/20 0.34
NAPRT Q6XQN6 1/20 0.34

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
SCHEMBL11298115 1.00 AKR1C3 (0.42) AKR1C3KIF11KMT2AMEN1KDM4C
SCHEMBL2072809 0.89 AKR1C3 (0.50) AKR1C3KMT2ACYP2C9ALDH1A1CYP1A2
SCHEMBL6255791 0.89 AKR1C3 (0.50) AKR1C3KMT2ACYP2C9ALDH1A1CYP1A2
SCHEMBL6351577 0.80 L3MBTL1 (0.41) AKR1C3KMT2AMEN1ALDH1A1CYP3A4
SCHEMBL6930225 0.77 AKR1C3 (0.48) AKR1C3KMT2ACYP2C9ALDH1A1CYP1A2
SCHEMBL6930231 0.77 AKR1C3 (0.48) AKR1C3KMT2ACYP2C9ALDH1A1CYP1A2
SCHEMBL8019098 0.75 MAPT (0.47) AKR1C3KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL11032439 0.74 KCNN4 (0.41) AKR1C3KMT2AMEN1CYP1A2CYP3A4
SCHEMBL11032442 0.74 KCNN4 (0.41) AKR1C3KMT2AMEN1CYP1A2CYP3A4
SCHEMBL1469914 0.73 AKR1C3 (0.48) AKR1C3KMT2ACYP2C9ALDH1A1CYP1A2

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
JP-57212143-A None JP disclosed
JP-S57212143-A METHACRYLIC ACID ESTER COMPOUND DAICEL CHEM IND LTD 1982-12-27 JP disclosed