SCHEMBL7563929

SCHEMBL7563929

CCCCOC(=O)N1CCCC1CBr

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GBA2 Q9HCG7 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
DPP4 P27487 2/20 0.35
FAP Q12884 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
FKBP1A P62942 1/20 0.34
ACE P12821 1/20 0.34
ACE2 Q9BYF1 1/20 0.34

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
SCHEMBL14144107 0.88 POLB (0.45) POLBLMNASMN1; SMN2GBA2L3MBTL1
SCHEMBL5250880 0.87 POLB (0.44) POLBLMNASMN1; SMN2GBA2L3MBTL1
SCHEMBL6207733 0.87 POLB (0.53) POLBLMNASMN1; SMN2GBA2L3MBTL1
SCHEMBL3982504 0.87 POLB (0.53) POLBLMNASMN1; SMN2GBA2L3MBTL1
SCHEMBL5250883 0.87 POLB (0.44) POLBLMNASMN1; SMN2GBA2L3MBTL1
SCHEMBL1982237 0.87 POLB (0.53) POLBLMNASMN1; SMN2GBA2L3MBTL1
SCHEMBL856258 0.85 POLB (0.43) POLBLMNASMN1; SMN2GBA2L3MBTL1
SCHEMBL31648060 0.85 MAPT (0.43) POLBLMNASMN1; SMN2GBA2L3MBTL1
SCHEMBL3403065 0.83 POLB (0.41) POLBLMNASMN1; SMN2GBA2L3MBTL1
SCHEMBL2913340 0.82 POLB (0.47) POLBLMNASMN1; SMN2GBA2L3MBTL1

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
EP-1187846-A2 11BETA LONG-CHAIN SUBSTITUTED ESTRATRIENES, METHOD FOR THEIR PRODUCTION, PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA LONG-CHAIN SUBSTITUTED ESTRATRIENES, AND THEIR USE FOR PRODUCING MEDICAMENTS Schering Aktiengesellschaft (DE) 2002-03-20 EP disclosed
WO-2001000652-A2 11β LONG-CHAIN SUBSTITUTED ESTRATRIENES, METHOD FOR THEIR PRODUCTION, PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11β LONG-CHAIN SUBSTITUTED ESTRATRIENES, AND THEIR USE FOR PRODUCING MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed