SCHEMBL28968076

SCHEMBL28968076

COc1ccccc1C(C)C(=O)OC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ HPGD P15428 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HIF1A Q16665 1/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ ATM Q13315 1/20 0.40

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
SCHEMBL14720629 0.82 CYP19A1 (0.52) CYP19A1L3MBTL1KMT2AMEN1LMNA
SCHEMBL14720630 0.82 CYP19A1 (0.52) CYP19A1L3MBTL1KMT2AMEN1LMNA
SCHEMBL10901068 0.80 CYP19A1 (0.73) CYP19A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL4297790 0.78 CYP19A1 (0.70) CYP19A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL16517900 0.78 CYP19A1 (0.70) CYP19A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL5541713 0.77 LPAR1 (0.49) L3MBTL1HPGDALDH1A1KMT2A
SCHEMBL28689216 0.75 LMNA (0.45) CYP19A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL19024635 0.74 L3MBTL1 (0.46) L3MBTL1KMT2ALMNATDP1
SCHEMBL28337080 0.74 KMT2A (0.46) L3MBTL1HPGDALDH1A1KMT2ALMNA
SCHEMBL10528223 0.74 CYP19A1 (0.60) CYP19A1SMN1; SMN2ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109678718-B Method for synthesizing phenylpropionic acid ester derivatives under catalysis of ionic liquid 江西师范大学 2023-03-10 — — CN disclosed
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