SCHEMBL5853465

SCHEMBL5853465

CC(OCCCN(C)C)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH3 Q9Y5N1 4/20 0.34
DNM1 Q05193 3/20 0.33
LSS P48449 1/20 0.33
GAA P10253 1/20 0.33
HTR1B P28222 1/20 0.32
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
ADRA2B P18089 1/20 0.31
CHRM3 P20309 1/20 0.31
SLC6A2 P23975 1/20 0.31

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
SCHEMBL3731822 0.85 CHRM2 (0.42) ALDH1A1TSHRKDM4ESMN1; SMN2LMNA
SCHEMBL2621579 0.80 ALDH1A1 (0.43) ALDH1A1TSHRKDM4ESMN1; SMN2HRH3
SCHEMBL9542064 0.79 CHRNB2 (0.30)
SCHEMBL6667445 0.78 SPHK1 (0.37) ALDH1A1TSHRSMN1; SMN2DNM1
SCHEMBL27985703 0.77 MAPT (0.41) ALDH1A1TSHRKDM4ESMN1; SMN2HRH3
SCHEMBL15147744 0.76 ALDH1A1 (0.39) ALDH1A1TSHRKDM4ESMN1; SMN2HRH3
SCHEMBL27918267 0.76 ALDH1A1 (0.39) ALDH1A1TSHRKDM4ESMN1; SMN2HRH3
SCHEMBL2434242 0.76 ODC1 (0.36) DNM1CHRM2
SCHEMBL29300221 0.76 ALDH1A1 (0.39) ALDH1A1TSHRKDM4ESMN1; SMN2HRH3
SCHEMBL27564512 0.76 SPHK1 (0.44) ALDH1A1DNM1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6991610-B2 Orthopedic fixture ALCARE CO., LTD. (JP) 2006-01-31 US disclosed
EP-0978266-B1 Physical position-retaining device for individuals ALCARE CO LTD (JP) 2005-02-23 EP disclosed
WO-2003050155-A1 RAPID ACTIVATED POLYURETHANE ADHESIVE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-06-19 WO disclosed
US-20020161319-A1 Orthopedic fixture ALCARE CO., LTD. (JP) 2002-10-31 US disclosed
US-6254959-B1 WATER-CURABLE RESIN; HUMAN BODY PARTS; ORTHOPEDIC SURGERY ALCARE CO., LTD. (JP) 2001-07-03 US disclosed
EP-0978266-A2 Physical position-retaining material and device for individuals Alcare Co., Ltd. (JP) 2000-02-09 EP disclosed