SCHEMBL9068328

SCHEMBL9068328

CCOC(=O)N1CCC[C@H]1CCCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
GAA P10253 3/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
USP2 O75604 1/20 0.42
KMT2A Q03164 2/20 0.42
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.39

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
SCHEMBL9068282 0.94 ALDH1A1 (0.48) ALDH1A1GAATSHRKDM4ELMNA
SCHEMBL9068477 0.94 ALDH1A1 (0.48) ALDH1A1GAATSHRKDM4ELMNA
SCHEMBL25322176 0.89 CASP3 (0.43) ALDH1A1GAALMNACASP3CASP7
SCHEMBL25322168 0.89 CASP3 (0.43) ALDH1A1GAALMNACASP3CASP7
SCHEMBL16538611 0.88 GPR119 (0.45) LMNANPSR1KMT2ACASP3CASP7
SCHEMBL16538625 0.88 GPR119 (0.45) LMNANPSR1KMT2ACASP3CASP7
SCHEMBL7477251 0.86 FKBP1A (0.42) ALDH1A1GAATSHRKDM4ELMNA
SCHEMBL18497662 0.83 LMNA (0.44) ALDH1A1GAATSHRKDM4ELMNA
SCHEMBL7485723 0.83 FKBP1A (0.40) ALDH1A1GAATSHRKDM4ENPSR1
SCHEMBL29285446 0.82 LMNA (0.45) LMNANPSR1KMT2AL3MBTL1

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
US-5556864-A TREATMENT OF CIRCULATORY DISEASES AND PSYCHOSIS SANKYO COMPANY, LIMITED (JP) 1996-09-17 US disclosed