SCHEMBL1661621

SCHEMBL1661621

NCC1CCC(CCCCCCCCCCCCCCCC(=O)O)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 4/20 0.56
PHF8 Q9UPP1 4/20 0.56
KDM2A Q9Y2K7 4/20 0.56
KDM4C Q9H3R0 3/20 0.56
KDM7A Q6ZMT4 1/20 0.56
LMNA P02545 6/20 0.48
PLG P00747 2/20 0.48
PLAT P00750 1/20 0.48
THRB P10828 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
RECQL P46063 2/20 0.48
ALOX15 P16050 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KDM4A O75164 1/20 0.47
TSHR P16473 3/20 0.46
NFKB1 P19838 2/20 0.46
PMP22 Q01453 2/20 0.46

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
SCHEMBL1457469 0.90 KDM5A (0.65) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL11849540 0.90 KDM5A (0.65) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL4978263 0.90 KDM5A (0.65) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL16046794 0.90 KDM5A (0.65) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL826408 0.90 KDM5A (0.65) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL1456488 0.90 KDM5A (0.65) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL11848931 0.90 KDM5A (0.65) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL4449247 0.90 KDM5A (0.65) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL11851432 0.90 KDM5A (0.65) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL31454264 0.90 KDM5A (0.65) KDM5APHF8KDM2AKDM4CKDM7A

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-102033866-A Method and system for checking chemical name IBM 2011-04-27 CN disclosed
US-20110082844-A1 Method and apparatus of correcting chemical names INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-04-07 US disclosed