SCHEMBL9729099

SCHEMBL9729099

CCOC(=O)C1CC2(CCC1NCc1ccccc1)OCCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.40
PPID Q08752 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 3/20 0.37
PKM P14618 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
GAA P10253 1/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MMP2 P08253 1/20 0.37

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
SCHEMBL1770251 0.85 CPB1 (0.52) CCR1ALDH1A1CYP2C9CYP2C19GAA
SCHEMBL12987132 0.84 PPID (0.41) PPIDMEN1KMT2AMAPTPKM
SCHEMBL12987139 0.84 PPID (0.41) PPIDMEN1KMT2AMAPTPKM
SCHEMBL12987135 0.84 PPID (0.41) PPIDMEN1KMT2AMAPTPKM
SCHEMBL13137383 0.83 CCR1 (0.54) CCR1MAPTPKMSMN1; SMN2KDM4E
SCHEMBL2993771 0.81 ALDH1A1 (0.41) CCR1ALDH1A1MAPTPKMSMN1; SMN2
SCHEMBL3680990 0.81 ALDH1A1 (0.41) CCR1ALDH1A1MAPTPKMSMN1; SMN2
SCHEMBL3745167 0.81 ALDH1A1 (0.41) CCR1ALDH1A1MAPTPKMSMN1; SMN2
SCHEMBL4460390 0.81 ALDH1A1 (0.41) CCR1ALDH1A1MAPTPKMSMN1; SMN2
SCHEMBL4485950 0.81 ALDH1A1 (0.41) CCR1ALDH1A1MAPTPKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5134143-A Dopamine Agonists ELI LILLY AND COMPANY (US) 1992-07-28 US disclosed
US-4977160-A DOPAMINE AGONISTS; PARKINSON*S DISEASE ELI LILLY AND COMPANY (US) 1990-12-11 US disclosed
US-4826986-A DOPAMINE AGONISTS ELI LILLY AND COMPANY (US) 1989-05-02 US disclosed
EP-0250179-A2 BCD tricyclic ergoline part-structure analogues ELI LILLY AND COMPANY (US) 1987-12-23 EP disclosed