SCHEMBL28097159

SCHEMBL28097159

CC(C)CCOC(CO)COCCO

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
USP2 O75604 1/20 0.32
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL1829588 0.92 USP2 (0.33) TSHRALDH1A1USP2CNR1CNR2
SCHEMBL6433059 0.83 TSHR (0.43) TSHRALDH1A1MAPK1MEN1KMT2A
SCHEMBL2337711 0.81 TSHR (0.40) TSHRALDH1A1MAPK1CNR1CNR2
SCHEMBL19196915 0.81 MEN1 (0.42) TSHRALDH1A1MAPK1MEN1KMT2A
SCHEMBL9286584 0.80 TSHR (0.46) TSHRALDH1A1MAPK1MEN1KMT2A
SCHEMBL13028968 0.79 MEN1 (0.50) TSHRALDH1A1MAPK1MEN1KMT2A
SCHEMBL1219820 0.79 MEN1 (0.50) TSHRALDH1A1MAPK1MEN1KMT2A
SCHEMBL28098697 0.79 MEN1 (0.50) TSHRALDH1A1MAPK1MEN1KMT2A
SCHEMBL21855420 0.79 MEN1 (0.50) TSHRALDH1A1MAPK1MEN1KMT2A
SCHEMBL10498218 0.79 ALDH1A1 (0.36) ALDH1A1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105970298-A Method for preparing mesoscopic scale line-shaped organic crystal 上海理工大学 2016-09-28 CN claimed
CN-105970298-A Method for preparing mesoscopic scale line-shaped organic crystal 上海理工大学 2016-09-28 CN disclosed