SCHEMBL7185320

SCHEMBL7185320

CCNC(CC)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 3/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 2/20 0.30
NPC1 O15118 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL13822511 0.84
SCHEMBL5911087 0.82 KMT2A (0.39) HTTALDH1A1KMT2ARAB9ALMNA
SCHEMBL540785 0.79 HTT (0.39) HTTALDH1A1KMT2ARAB9ALMNA
SCHEMBL10409485 0.76 ALDH1A1 (0.54) ALDH1A1RAB9ALMNAHPGDTSHR
SCHEMBL8670292 0.74 TSHR (0.40) HTTALDH1A1KMT2ALMNAMAPT
SCHEMBL15732428 0.74 ALDH1A1 (0.45) HTTALDH1A1KMT2ARAB9ALMNA
SCHEMBL3670816 0.74 ALDH1A1 (0.38) HTTALDH1A1KMT2ARAB9ALMNA
SCHEMBL12881027 0.74 HTT (0.39) HTTALDH1A1KMT2ARAB9ALMNA
SCHEMBL3929786 0.74 ALDH1A1 (0.38) HTTALDH1A1KMT2ARAB9ALMNA
SCHEMBL8939923 0.72 ALDH1A1 (0.47) HTTALDH1A1KMT2ARAB9ALMNA

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-1290056-A1 POLYURETHANE COMPOSITIONS BASED ON POLYESTER BLOCK COPOLYMERS Henkel Kommanditgesellschaft auf Aktien (DE) 2003-03-12 EP disclosed
EP-1250394-A1 POLYURETHANE COMPOSITIONS ON THE BASIS OF POLYESTER-POLYETHER COPOLYMERS Henkel Kommanditgesellschaft auf Aktien (DE) 2002-10-23 EP disclosed
WO-2001096436-A1 POLYURETHANE COMPOSITIONS BASED ON POLYESTER BLOCK COPOLYMERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-20 WO disclosed
WO-2001046330-A1 POLYURETHANE COMPOSITIONS ON THE BASIS OF POLYESTER-POLYETHER COPOLYMERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-06-28 WO disclosed