SCHEMBL8470485

SCHEMBL8470485

CCOC(=O)C=CNCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
ALDH1A1 P00352 6/20 0.50
TAAR1 Q96RJ0 4/20 0.50
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
HCAR2 Q8TDS4 1/20 0.48
LMNA P02545 4/20 0.46
MDM2 Q00987 2/20 0.46
MDM4 O15151 1/20 0.46
AKR1B10 O60218 1/20 0.46

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
SCHEMBL9555949 0.85 MAPT (0.63) MAPTALDH1A1HCAR2LMNAMDM2
SCHEMBL23620720 0.85 MAPT (0.63) MAPTALDH1A1HCAR2LMNAMDM2
SCHEMBL9555945 0.85 MAPT (0.63) MAPTALDH1A1HCAR2LMNAMDM2
SCHEMBL6440534 0.79 ALDH1A1 (0.62) ALDH1A1TAAR1HCAR2LMNAPOLB
SCHEMBL27735855 0.78 HCAR2 (0.76) MAPTALDH1A1HCAR2LMNAAKR1B10
SCHEMBL30661078 0.78 HDAC3 (0.56) MAPTALDH1A1TAAR1HDAC3HDAC4
SCHEMBL1268421 0.77 MAPT (0.62) MAPTHCAR2
SCHEMBL1268422 0.77 MAPT (0.62) MAPTHCAR2
SCHEMBL15610611 0.77 MAPT (0.54) MAPTALDH1A1TAAR1HDAC3HDAC4
SCHEMBL30866449 0.77 MAPT (0.57) MAPTALDH1A1HDAC8HDAC6HCAR2

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-5892040-A Process for the manufacture of a tricyclic compound PFIZER. INC (US) 1999-04-06 US disclosed
EP-0680482-B1 PROCESS FOR THE MANUFACTURE OF A TRICYCLIC COMPOUND PFIZER (US) 1997-04-02 EP disclosed
EP-0680482-A1 PROCESS FOR THE MANUFACTURE OF A TRICYCLIC COMPOUND. PFIZER (US) 1995-11-08 EP disclosed
WO-1994017074-A1 PROCESS FOR THE MANUFACTURE OF A TRICYCLIC COMPOUND PFIZER INC. (US) 1994-08-04 WO disclosed