SCHEMBL6757115

SCHEMBL6757115

CCC(NC(=O)COC)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.69
ALDH1A1 P00352 4/20 0.59
LMNA P02545 4/20 0.54
HPGD P15428 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SLC6A9 P48067 1/20 0.52
TAOK1 Q7L7X3 1/20 0.49
TAOK3 Q9H2K8 1/20 0.49
EPHX2 P34913 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
KCNA5 P22460 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP2C19 P33261 1/20 0.46
ALOX12 P18054 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
PARP1 P09874 1/20 0.46

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
SCHEMBL7801724 1.00 TSHR (0.69) TSHRALDH1A1LMNAHPGDKDM4E
SCHEMBL2249845 0.86 TSHR (0.67) TSHRALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL14535420 0.83 ALDH1A1 (0.59) TSHRALDH1A1LMNAHPGDKDM4E
SCHEMBL14701528 0.83 ALDH1A1 (0.59) TSHRALDH1A1LMNAHPGDKDM4E
SCHEMBL12322211 0.81 ALDH1A1 (0.58) TSHRALDH1A1LMNAHPGDKDM4E
SCHEMBL13072325 0.81 ALDH1A1 (0.58) TSHRALDH1A1LMNAHPGDKDM4E
SCHEMBL186230 0.81 LMNA (0.61) TSHRALDH1A1LMNAHPGDKDM4E
SCHEMBL186416 0.81 LMNA (0.61) TSHRALDH1A1LMNAHPGDKDM4E
SCHEMBL186238 0.81 LMNA (0.61) TSHRALDH1A1LMNAHPGDKDM4E
SCHEMBL13947719 0.80 ALDH1A1 (0.56) TSHRALDH1A1LMNAHPGDKDM4E

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-6713652-B1 ALKALI METAL OR ALKALINE EARTH METAL HYDROXIDE IN THE PRESENCE OF A POLYOL OR AMINO ALCOHOL BASF AKTIENGESELLSCHAFT (DE) 2004-03-30 US disclosed