SCHEMBL20123217

SCHEMBL20123217

NC(=O)N[C@H]1CC[C@@H](CCCCC(=O)O)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 4/20 0.45
▸ PHF8 Q9UPP1 4/20 0.45
▸ KDM2A Q9Y2K7 4/20 0.45
▸ KDM4C Q9H3R0 3/20 0.45
▸ KDM7A Q6ZMT4 1/20 0.45
▸ KDM4A O75164 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ PMP22 Q01453 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ RECQL P46063 1/20 0.38

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
SCHEMBL11329424 0.76 KDM5A (0.61) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL11851432 0.74 KDM5A (0.65) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL1457469 0.74 KDM5A (0.65) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL826408 0.74 KDM5A (0.65) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL11849540 0.74 KDM5A (0.65) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL4449247 0.74 KDM5A (0.65) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL4978263 0.74 KDM5A (0.65) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL1456488 0.74 KDM5A (0.65) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL11848931 0.74 KDM5A (0.65) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL16046794 0.74 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203161-B1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF UNIV INDIANA RES & TECH CORP (US) 2018-05-09 — — EP disclosed
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