SCHEMBL9068477

SCHEMBL9068477

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
GAA P10253 2/20 0.47
TSHR P16473 2/20 0.47
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 3/20 0.44
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 2/20 0.42
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.40
CYP2D6 P10635 1/20 0.40
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
MEN1 O00255 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
SCHEMBL9068282 1.00 ALDH1A1 (0.48) ALDH1A1GAATSHRKDM4EKMT2A
SCHEMBL9068328 0.94 ALDH1A1 (0.46) ALDH1A1GAATSHRKDM4EKMT2A
SCHEMBL7477251 0.89 FKBP1A (0.42) ALDH1A1GAATSHRKDM4ELMNA
SCHEMBL29285446 0.87 LMNA (0.45) KMT2ALMNANPSR1L3MBTL1MEN1
SCHEMBL27031270 0.86 ALDH1A1 (0.44) ALDH1A1POLBRAB9ACYP2D6CASP3
SCHEMBL7485723 0.86 FKBP1A (0.40) ALDH1A1GAATSHRKDM4ENPSR1
SCHEMBL8702996 0.85 LMNA (0.44) ALDH1A1KMT2ALMNANPSR1L3MBTL1
SCHEMBL18497662 0.84 LMNA (0.44) ALDH1A1GAATSHRKDM4EKMT2A
SCHEMBL16538625 0.82 GPR119 (0.45) KMT2ALMNANPSR1L3MBTL1CASP3
SCHEMBL16538611 0.82 GPR119 (0.45) KMT2ALMNANPSR1L3MBTL1CASP3

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