SCHEMBL6402900

SCHEMBL6402900

C=CCc1ccc2c(ccc3ccccc32)c1C=C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.47
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP2A6 P11509 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PAX8 Q06710 1/20 0.36
HPGD P15428 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HIF1A Q16665 1/20 0.35
CYP1B1 Q16678 1/20 0.35
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
APEX1 P27695 1/20 0.34
MAPK1 P28482 1/20 0.34
PMP22 Q01453 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ANPEP P15144 1/20 0.33

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
SCHEMBL6385841 0.91 HPGD (0.41) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL8712215 0.85 HPRT1 (0.48) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
Phosphonic Acid SCHEMBL27824149 0.84 ERN1 (0.40) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL8713224 0.82 HPRT1 (0.45) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL1147979 0.81 HPRT1 (0.52) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL30083974 0.81 HPRT1 (0.52) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL17183152 0.81 HPRT1 (0.52) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL8629756 0.80 GABRA1 (0.47) HPRT1MEN1KMT2A
SCHEMBL6402798 0.80 ALDH1A1 (0.35) ALDH1A1HSD17B10CYP2A6TDP1HPGD
SCHEMBL8715047 0.80 GAA (0.43) HPRT1ALDH1A1HSD17B10CYP2A6TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900157-B2 Process for production of partially hydrophilized porous adsorbents TOSOH CORPORATION (JP) 2005-05-31 US disclosed
US-20030050403-A1 Process for production of partially hydrophilized porous adsorbents TOSOH CORPORATION 2003-03-13 US disclosed
EP-1291080-A2 Process for production of partially hydrophilized porous adsorbents Tosoh Corporation (JP) 2003-03-12 EP disclosed