SCHEMBL9548176

SCHEMBL9548176

CCCC(=O)CC(=O)OC.[AlH3]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
ALDH1A1 P00352 1/20 0.46
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
POLB P06746 1/20 0.42
POLA1 P09884 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HDAC3 O15379 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CA12 O43570 3/20 0.38
CA14 Q9ULX7 3/20 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
SCHEMBL647475 0.97 TSHR (0.52) TSHRALDH1A1MGAMGAASI
SCHEMBL15120651 0.93 TSHR (0.48) TSHRALDH1A1MGAMGAASI
Cyanide SCHEMBL27906973 0.91 TSHR (0.46) TSHRALDH1A1MGAMGAASI
SCHEMBL27600924 0.91 TSHR (0.46) TSHRALDH1A1MGAMGAASI
SCHEMBL28259310 0.87 TSHR (0.42) TSHRALDH1A1MGAMGAASI
SCHEMBL11756126 0.84 TSHR (0.61) TSHRALDH1A1MGAMGAASI
SCHEMBL662653 0.83 TSHR (0.50) TSHRALDH1A1MGAMGAASI
Dimethyl Succinate SCHEMBL28792466 0.82 TSHR (0.68) TSHRALDH1A1MGAMGAASI
SCHEMBL4652664 0.81
SCHEMBL3142044 0.81 POLB (0.58) TSHRALDH1A1POLBPOLA1LMNA

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-5252422-A Method for preparing an electrophotographic photoreceptor FUJI XEROX CO., LTD. (JP) 1993-10-12 US disclosed