SCHEMBL7103835

SCHEMBL7103835

C=CCN(CC=C)CCCCCC(=O)CCCCCN(CC=C)CC=C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 2/20 0.38
ABCC4 O15439 1/20 0.38
KDM4E B2RXH2 7/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 2/20 0.37
FAAH O00519 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ATM Q13315 2/20 0.31
HPGD P15428 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
SCHEMBL10397475 0.86 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2TSHRABCC4
SCHEMBL15477588 0.86 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2TSHRABCC4
SCHEMBL27987955 0.82 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2TSHRKDM4E
SCHEMBL3060057 0.82 KDM4E (0.33) ALDH1A1SMN1; SMN2TSHRKDM4EKMT2A
SCHEMBL3655351 0.82 KDM4E (0.33) ALDH1A1SMN1; SMN2TSHRKDM4EKMT2A
SCHEMBL6943640 0.82 KDM4E (0.33) ALDH1A1SMN1; SMN2TSHRKDM4EKMT2A
SCHEMBL15234428 0.81 FAAH (0.46) ALDH1A1MAPTTSHRKMT2AMEN1
SCHEMBL2641260 0.80 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2TSHRKDM4E
Hydrochloric Acid SCHEMBL11141982 0.79 OPRK1 (0.33) ALDH1A1SMN1; SMN2TSHRKDM4EKMT2A
SCHEMBL213436 0.79 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2TSHRKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030054103-A1 Curable coating composition, curable ink, printing method thereof and printed matter TOYO INK MFG. CO., LTD. (JP) 2003-03-20 US disclosed