SCHEMBL8562161

SCHEMBL8562161

Cc1cc(C(=O)O)c(C)c2c1SCC1=C2SCCS1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NOTUM Q6P988 1/20 0.31
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL7841595 0.75 KDM4E (0.36) KDM4EMEN1KMT2ATDP1NOTUM
SCHEMBL8509387 0.68 DRD2 (0.52) KDM4ENOTUM
SCHEMBL8119745 0.68 KDM4E (0.34) KDM4EMEN1KMT2ATDP1NOTUM
SCHEMBL8871664 0.67 KDM4E (0.34) KDM4EGAA
SCHEMBL8871666 0.67 KDM4E (0.34) KDM4EGAA
SCHEMBL8870962 0.64 RXRA (0.33) KDM4EGAA
SCHEMBL8870967 0.64 RXRA (0.33) KDM4EGAA
SCHEMBL6721499 0.63 NOTUM (0.33) KDM4EMEN1KMT2ATDP1NOTUM
SCHEMBL6726207 0.63 RXRA (0.35) KDM4EMEN1KMT2ATDP1NOTUM
SCHEMBL8136278 0.62 KDM4E (0.34) KDM4EMEN1KMT2ATDP1NOTUM

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-0860441-A1 Herbicidal derivatives of 1,4-dithiino(2,3c)benzothiopyran E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-08-26 EP disclosed