SCHEMBL9488186

SCHEMBL9488186

CC1CCN(CCC(=O)O)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
GLA P06280 1/20 0.44
KMT2A Q03164 3/20 0.43
GAA P10253 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TERT O14746 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
SCHEMBL18503227 0.89 ALDH1A1 (0.56) POLBALDH1A1LMNAMAPTHPGD
SCHEMBL5132271 0.88 POLB (0.62) POLBHTTALDH1A1MAPTGLA
SCHEMBL14197721 0.85 POLB (0.50) POLBHTTALDH1A1LMNAMAPT
SCHEMBL9487979 0.80 SMN1; SMN2 (0.59) POLBHTTALDH1A1LMNAMAPT
SCHEMBL2557014 0.80 L3MBTL1 (0.42) POLBHTTALDH1A1LMNAHPGD
Acetic Acid SCHEMBL30330411 0.79 KDM4E (0.46) POLBHTTALDH1A1LMNAMAPT
SCHEMBL31124637 0.78 GLA (0.46) POLBHTTALDH1A1LMNAMAPT
SCHEMBL1140912 0.77 KMT2A (0.68) HTTALDH1A1LMNAMAPTHPGD
SCHEMBL23505619 0.77 POLB (0.42) POLBHTTALDH1A1LMNAMAPT
SCHEMBL22818529 0.77 POLB (0.42) POLBHTTALDH1A1LMNAMAPT

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
EP-0409881-B1 N-HETEROCYCLIC PROPYLIDENE-1,1-BISPHOSPHONIC ACIDS, THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1993-02-10 EP disclosed
US-5130304-A Drugs for calcium metabolism for treatment of osteoporosis or arthritis LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1992-07-14 US disclosed
EP-0409881-A1 N-HETEROCYCLIC PROPYLIDENE-1,1-BISPHOSPHONIC ACIDS, THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION. LEO PHARM PROD LTD (DK) 1991-01-30 EP disclosed
WO-1989009775-A1 N-HETEROCYCLIC PROPYLIDENE-1,1-BISPHOSPHONIC ACIDS, THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LØVENS KEMIS (DK) 1989-10-19 WO disclosed