SCHEMBL6672227

SCHEMBL6672227

CCC(N)(N)c1ccccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
ALDH1A1 P00352 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
CA2 P00918 3/20 0.38
ALOX15 P16050 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
CA12 O43570 1/20 0.38
GMNN O75496 1/20 0.38
EGFR P00533 1/20 0.38
LMNA P02545 1/20 0.38
FYN P06241 1/20 0.38
POLB P06746 1/20 0.38
CA3 P07451 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
MMP9 P14780 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
CA4 P22748 1/20 0.38

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
SCHEMBL27699878 0.83 ALDH1A1 (0.42) TSHRALDH1A1TDP1CA2ALOX15
SCHEMBL1822446 0.83 TSHR (0.52) TSHRALDH1A1TDP1CA2ALOX15
SCHEMBL8664622 0.81 TSHR (0.50) TSHRALDH1A1TDP1CA2ALOX15
SCHEMBL19214742 0.81 TSHR (0.56) TSHRALDH1A1TDP1CA2ALOX15
SCHEMBL7172700 0.81 TSHR (0.56) TSHRALDH1A1TDP1CA2ALOX15
SCHEMBL28430326 0.80 ALDH1A1 (0.60) TSHRALDH1A1TDP1CA2ALOX15
SCHEMBL11139625 0.78 ALDH1A1 (0.47) TSHRALDH1A1TDP1CYP3A4MAPT
SCHEMBL27949918 0.78 TSHR (0.52) TSHRALDH1A1TDP1CA2ALOX15
SCHEMBL31276573 0.77 TSHR (0.56) TSHRALDH1A1TDP1CA2ALOX15
SCHEMBL6522579 0.77 TSHR (0.56) TSHRALDH1A1TDP1CA2ALOX15

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-1457541-A1 WATER ABSORBING AGENT, PROCESS FOR ITS PRODUCTION, AND ABSORBERS AND ABSORBENT ARTICLES MADE BY USING THE AGENT San-Dia Polymers, Ltd. (JP) 2004-09-15 EP disclosed