SCHEMBL8978600

SCHEMBL8978600

CCn1c(-c2c(OC)cccc2OC)n[nH]c1=S

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.63
KDM4E B2RXH2 8/20 0.63
HSD17B10 Q99714 4/20 0.63
KMT2A Q03164 3/20 0.63
HTT P42858 2/20 0.60
HPGD P15428 4/20 0.56
MEN1 O00255 1/20 0.55
TSHR P16473 1/20 0.55
APOBEC3G Q9HC16 3/20 0.53
POLB P06746 1/20 0.53
GFER P55789 3/20 0.53
TDP1 Q9NUW8 3/20 0.52
GAA P10253 1/20 0.52
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
GLA P06280 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL8978530 0.84 GFER (0.74) ALDH1A1KDM4EHSD17B10KMT2AHTT
SCHEMBL8978540 0.82 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10KMT2AHTT
SCHEMBL8978521 0.77 KDM4E (1.00) ALDH1A1KDM4EHSD17B10KMT2AHTT
SCHEMBL8978559 0.76 GFER (0.74) ALDH1A1KDM4EHSD17B10KMT2AHTT
SCHEMBL8978588 0.73 ALDH1A1 (0.62) ALDH1A1KDM4EHSD17B10KMT2AHTT
SCHEMBL8978645 0.73 KDM4E (0.71) ALDH1A1KDM4EHSD17B10KMT2AHTT
SCHEMBL1543880 0.72 ALDH1A1 (0.54) ALDH1A1KDM4EHSD17B10KMT2AHTT
SCHEMBL8978522 0.71 ALDH1A1 (0.73) ALDH1A1KDM4EHSD17B10KMT2AHTT
SCHEMBL1544385 0.71 KDM4E (0.53) ALDH1A1KDM4EHSD17B10KMT2AHTT
SCHEMBL1544591 0.70 KDM4E (0.52) ALDH1A1KDM4EHSD17B10KMT2AHTT

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-5489598-A INHIBITS ADHESION OF MAC-1 TO ENDOTHELIAL CELLS, USEFUL FOR TREATING GASTRITIS INDUCED BY NONSTEROIDANTIINFLAMMATORY DRUGS IMFLAMMATORY BOWEL DISEASE OF ULCERATIVE COLITIS WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed