SCHEMBL8627637

SCHEMBL8627637

C=CCOC(=O)CNCCCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PAOX Q6QHF9 1/20 0.36
CASP1 P29466 1/20 0.36
CASP2 P42575 2/20 0.35
CA12 O43570 2/20 0.35
F13A1 P00488 2/20 0.35
CA2 P00918 2/20 0.35
CYP1A2 P05177 2/20 0.35
ALOX15 P16050 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
THPO P40225 2/20 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
SCHEMBL27544693 0.93 TSHR (0.43) MAOAMAOBTSHRMAPTCACNA1B
SCHEMBL8824252 0.83 TSHR (0.57) TSHRALDH1A1GAACASP1MEN1
SCHEMBL6677773 0.81 TSHR (0.44) TSHRMAPTCACNA1BAPBA1ALDH1A1
SCHEMBL18741294 0.81 TSHR (0.60) TSHRALDH1A1GAATDP1EPHX2
SCHEMBL1276353 0.81 TSHR (0.47) TSHRMAPTCACNA1BAPBA1ALDH1A1
SCHEMBL89278 0.80 TSHR (0.41) TSHRMAPTCACNA1BAPBA1ALDH1A1
SCHEMBL8824208 0.79 TSHR (0.51) TSHRMAPTCACNA1BAPBA1ALDH1A1
SCHEMBL10454578 0.77 TSHR (0.44) TSHRMAPTCACNA1BAPBA1ALDH1A1
SCHEMBL1161936 0.77 TSHR (0.42) TSHRMAPTCACNA1BAPBA1ALDH1A1
SCHEMBL1614567 0.76 TSHR (0.61) TSHRMAPTCACNA1BAPBA1ALDH1A1

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
US-5776310-A Method for treatment of paper machine press section felts BETZDEARBORN INC. (US) 1998-07-07 US claimed
US-5651812-A Agent for treatment of paper machine press section felts and its use BETZDEARBORN INC. (US) 1997-07-29 US claimed
US-5776310-A Method for treatment of paper machine press section felts BETZDEARBORN INC. (US) 1998-07-07 US disclosed
US-5776310-A Method for treatment of paper machine press section felts BETZDEARBORN INC. (US) 1998-07-07 US disclosed
US-5651812-A Agent for treatment of paper machine press section felts and its use BETZDEARBORN INC. (US) 1997-07-29 US disclosed