SCHEMBL2728487

SCHEMBL2728487

O=C(O)CCCc1ccc(NCCCl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.58
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 2/20 0.55
GMNN O75496 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
CYP2D6 P10635 1/20 0.55
GABRA1 P14867 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
THPO P40225 1/20 0.55
GABRA2 P47869 1/20 0.55
GABRB2 P47870 1/20 0.55
PMP22 Q01453 1/20 0.55
HIF1A Q16665 1/20 0.55
SLCO1B3 Q9NPD5 1/20 0.55
HDAC3 O15379 1/20 0.53
MAPK1 P28482 1/20 0.53
ADRA1A P35348 1/20 0.53
HDAC4 P56524 1/20 0.53

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
SCHEMBL2731005 0.90 FFAR1 (0.62) FFAR1FFAR4
SCHEMBL11468595 0.81 MAPT (0.65) FFAR1SMN1; SMN2MAPTLMNATSHR
SCHEMBL11229424 0.80 S1PR1 (0.62) FFAR1SMN1; SMN2ALDH1A1HDAC3MAPK1
SCHEMBL11934944 0.80 FFAR1 (0.55) FFAR1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL11239458 0.80 S1PR1 (0.62) FFAR1SMN1; SMN2ALDH1A1HDAC3MAPK1
SCHEMBL11247581 0.80 S1PR1 (0.62) FFAR1SMN1; SMN2ALDH1A1HDAC3MAPK1
SCHEMBL10412750 0.79 ALDH1A1 (0.58) FFAR1SMN1; SMN2MAPTGMNNALDH1A1
SCHEMBL2112016 0.79 FFAR1 (0.57) FFAR1SMN1; SMN2MAPTGMNNALDH1A1
SCHEMBL6208836 0.78 SMN1; SMN2 (0.82) FFAR1SMN1; SMN2MAPTGMNNALDH1A1
SCHEMBL939423 0.78 FFAR1 (0.52) FFAR1SMN1; SMN2MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0000938-B1 MACROMOLECULAR COVALENT CONJUGATES, METHODS FOR PREPARING AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-10-17 EP claimed
WO-2012058325-A1 COMPOUNDS AND METHODS USEFUL FOR TREATMENT OF DISEASES MEDIATED BY HIF-1 ONCOTHYREON INC. (US) 2012-05-03 WO disclosed
WO-2012058325-A1 COMPOUNDS AND METHODS USEFUL FOR TREATMENT OF DISEASES MEDIATED BY HIF-1 ONCOTHYREON INC. (US) 2012-05-03 WO disclosed
CN-1703199-A Aggregate with enhanced deformability comprising at least three amphiphiles for improved transport through a semi-permeable barrier and use of non-invasive drugs in vivo, in particular through the skin IDEA AG (DE) 2005-11-30 CN disclosed
EP-0000938-B1 MACROMOLECULAR COVALENT CONJUGATES, METHODS FOR PREPARING AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-10-17 EP disclosed