SCHEMBL20032579

SCHEMBL20032579

CC(=O)[C@H]1C[C@@H]1C(=O)c1ccc2c(c1)SCCO2

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 4/20 0.52
WNT3A P56704 4/20 0.52
KDM4E B2RXH2 2/20 0.37
KMO O15229 2/20 0.36
ATM Q13315 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
STING1 Q86WV6 1/20 0.32

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
SCHEMBL21231294 0.88 CTNNB1 (0.56) CTNNB1WNT3AKDM4EKMOKDM2B
SCHEMBL16614192 0.88 CTNNB1 (0.56) CTNNB1WNT3AKDM4EKMOKDM2B
SCHEMBL23024775 0.76 CTNNB1 (0.68) CTNNB1WNT3AKDM4EATMTSHR
SCHEMBL31396077 0.76 CTNNB1 (0.68) CTNNB1WNT3AKDM4EATMTSHR
SCHEMBL20032574 0.75 CTNNB1 (0.51) CTNNB1WNT3AKDM4EKMORAB9A
SCHEMBL21382764 0.74 CTNNB1 (0.58) CTNNB1WNT3AKDM4ETSHRMAPT
SCHEMBL997528 0.71 CTNNB1 (0.58) CTNNB1WNT3AKDM4EATMTSHR
SCHEMBL15980041 0.70 CTNNB1 (0.79) CTNNB1WNT3ATSHRRAB9AHPGD
SCHEMBL32670175 0.69 CTNNB1 (0.46) CTNNB1WNT3AKDM4EMAPTRAB9A
SCHEMBL20032573 0.68 TDP1 (0.63) KDM4EKMOMAPTL3MBTL1RAB9A

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-9938252-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-04-10 US disclosed