SCHEMBL9561801

SCHEMBL9561801

O=C(Oc1ccc(C2(c3ccc(OC(=O)c4ccccc4)cc3)CCCCC2)cc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.56
MEN1 O00255 3/20 0.56
ALDH1A1 P00352 3/20 0.54
PARP10 Q53GL7 1/20 0.53
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
MAPT P10636 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PKM P14618 1/20 0.50
ADORA3 P0DMS8 1/20 0.48
RAB9A P51151 1/20 0.48
HPGD P15428 1/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
F2 P00734 1/20 0.44

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
SCHEMBL12337416 0.94 ESR1 (0.56) KMT2AMEN1ALDH1A1PARP10SLC6A2
SCHEMBL2718813 0.93 KMT2A (0.50) KMT2AMEN1ALDH1A1PARP10SLC6A2
SCHEMBL13779474 0.93 ELANE (0.53) KMT2AMEN1ALDH1A1PARP10SLC6A2
SCHEMBL14580087 0.91 LMNA (0.50) KMT2AMEN1ALDH1A1PARP10SLC6A2
SCHEMBL18780368 0.90 KMT2A (0.48) KMT2AMEN1ALDH1A1PARP10SLC6A2
SCHEMBL12015967 0.89 ADORA3 (0.55) KMT2AMEN1ALDH1A1PARP10SLC6A2
SCHEMBL17792236 0.86 MAPT (0.65) KMT2AMEN1ALDH1A1PARP10SLC6A2
SCHEMBL26728699 0.86 ADORA3 (0.47) KMT2AMEN1ALDH1A1PARP10SLC6A2
SCHEMBL2760061 0.85 ADORA3 (0.60) KMT2AMEN1ALDH1A1PARP10SLC6A2
SCHEMBL10046812 0.85 ADORA3 (0.60) KMT2AMEN1ALDH1A1PARP10SLC6A2

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-5148188-A None JP disclosed
JP-H05148188-A CARBONIC ACID ESTER OF CYCLOHEXANE RING-CONTAINING DIOXY COMPOUND AND ITS PRODUCTION RICOH CO LTD 1993-06-15 JP disclosed