SCHEMBL27520241

SCHEMBL27520241

C=CC(=O)OCCCN1CCOC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.49
ALDH1A1 P00352 5/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 2/20 0.45
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
PKM P14618 1/20 0.41
HIF1A Q16665 3/20 0.41
TP53 P04637 2/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 1/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HRH3 Q9Y5N1 4/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 2/20 0.35
EPHX2 P34913 1/20 0.34

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
SCHEMBL611467 0.91 TSHR (0.52) TSHRALDH1A1CYP3A4HPGDKDM4E
SCHEMBL588332 0.91 ALDH1A1 (0.43) TSHRALDH1A1CYP3A4HPGDKDM4E
SCHEMBL4655598 0.88 ALDH1A1 (0.54) TSHRALDH1A1CYP3A4HPGDKDM4E
SCHEMBL10716218 0.86 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDKDM4E
SCHEMBL7085762 0.82 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDGAA
SCHEMBL67731 0.81 ATM (0.50) TSHRALDH1A1CYP3A4HPGDKDM4E
SCHEMBL27756363 0.79 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDKDM4E
SCHEMBL15154356 0.78 KDM4E (0.51) ALDH1A1HPGDKDM4EGAAPKM
SCHEMBL15173405 0.78 KDM4E (0.51) ALDH1A1HPGDKDM4EGAAPKM
SCHEMBL10349086 0.78 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1246353-C Polymer composition and method for removing dirt from fabric of said polymer ROHM & HAAS (US) 2006-03-22 CN disclosed
CN-1252409-A Polymer composition and method for removing dirt from fabric of said polymer ROHM & HAAS (US) 2000-05-10 CN disclosed