SCHEMBL11230561

SCHEMBL11230561

COc1cc2c(OC)cccc2cc1C=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
KDM4E B2RXH2 2/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 1/20 0.55
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ERN1 O75460 5/20 0.50
TLR2 O60603 1/20 0.50
TLR1 Q15399 1/20 0.50
TLR6 Q9Y2C9 1/20 0.50
NQO1 P15559 1/20 0.44
LMNA P02545 2/20 0.44
SRC P12931 1/20 0.43
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PRKDC P78527 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL4935526 0.93 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL24250199 0.85 ERN1 (0.54) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL11229197 0.85 ERN1 (0.54) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL4059355 0.82 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDTSHRTDP1
SCHEMBL8393507 0.79 NQO1 (0.67) ALDH1A1KDM4EHPGDHSD17B10NQO1
SCHEMBL29919905 0.79 NQO1 (0.67) ALDH1A1KDM4EHPGDHSD17B10NQO1
SCHEMBL11299778 0.79 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDTSHRTDP1
SCHEMBL30067160 0.78 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDTSHRTDP1
SCHEMBL1487621 0.77 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL8391116 0.77 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDHSD17B10NQO1

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-4341794-A ANIMAL GROWTH REGULATOR AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (FR) 1982-07-27 US disclosed