SCHEMBL6854513

SCHEMBL6854513

COc1cccc(C)c1COC(=O)c1cc[c]cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 2/20 0.37
TSHR P16473 1/20 0.37
HSD17B2 P37059 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
KMT2A Q03164 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CA12 O43570 1/20 0.36

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
SCHEMBL6665500 0.77 ESR1 (0.53) ALDH1A1LMNAKDM4EATMRXFP1
SCHEMBL7039710 0.73 ESR1 (0.62) ALDH1A1LMNAKDM4EATMRXFP1
SCHEMBL18819 0.70 CA1 (0.62) ALDH1A1LMNAMAPTRAB9ACYP1A2
SCHEMBL11281059 0.70 NPC1 (0.55) ALDH1A1LMNAKDM4EMAPTRAB9A
SCHEMBL27486325 0.70 CA12 (0.55) ALDH1A1LMNAKDM4EATMMAPT
SCHEMBL10805776 0.69 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTL3MBTL1RAB9A
SCHEMBL8674165 0.69 CA1 (0.60) ALDH1A1LMNAMAPTRAB9ACYP1A2
SCHEMBL909623 0.68 TDP1 (0.76) ALDH1A1LMNAMAPTL3MBTL1RAB9A
SCHEMBL30676465 0.68 TSHR (0.47) ALDH1A1LMNAKDM4EATMMAPT
SCHEMBL29121944 0.68 TSHR (0.47) ALDH1A1LMNAKDM4EATMMAPT

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-6783948-B1 USED IN DIAGNOSTIC IMMUNOASSAYS; HAS DISTINCTLY DIFFERENT LIGHT EMISSION CHARACTERISTICS (EMISSION WAVELENGTH, KINETICS, OR QUANTUM YIELD) BAYER CORPORATION 2004-08-31 US claimed