SCHEMBL6441137

SCHEMBL6441137

CC1CN(CCO)C(c2ccccc2)O1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.41
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.38
POLB P06746 2/20 0.38
HTT P42858 1/20 0.38
BLM P54132 1/20 0.38
FKBP1A P62942 1/20 0.38
KDM1A O60341 2/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL6445634 0.91 SIGMAR1 (0.39) SLC18A3ALDH1A1KDM4EPOLBHTT
SCHEMBL6444619 0.79 ALDH1A1 (0.41) SLC18A3MAPK1ALDH1A1KDM4EPOLB
SCHEMBL4185472 0.74 POLB (0.36) ALDH1A1KDM4EPOLBHTTBLM
SCHEMBL11174631 0.71 CYP19A1 (0.43) MAPK1ALDH1A1KDM4EPOLBHTT
SCHEMBL6446078 0.71 SLC18A3 (0.50) SLC18A3MAPK1ALDH1A1KDM4EKDM1A
SCHEMBL11720572 0.71 SLC18A3 (0.49) SLC18A3MAPK1ALDH1A1KDM4EPOLB
SCHEMBL6440725 0.70 PDK1 (0.36) TDP1
SCHEMBL20432916 0.70 PDK1 (0.36) TDP1
SCHEMBL10558242 0.70 GAA (0.50)
SCHEMBL9680182 0.69 POLB (0.37) MAPK1ALDH1A1KDM4EPOLBHTT

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-1537158-B1 RADIATION CURED POLYURETHANES WITH CAPPED AMINO GROUPS BASF SE (DE) 2013-04-24 EP disclosed
US-20050244652-A1 Radiation curable polyurethanes with capped amino groups BASF AKTIENGESELLSCHAFT (DE) 2005-11-03 US disclosed
EP-1537158-A1 RADIATION CURED POLYURETHANES WITH CAPPED AMINO GROUPS BASF AKTIENGESELLSCHAFT (DE) 2005-06-08 EP disclosed
WO-2004022621-A1 RADIATION CURED POLYURETHANES WITH CAPPED AMINO GROUPS BASF AKTIENGESELLSCHAFT (DE) 2004-03-18 WO disclosed