SCHEMBL28175299

SCHEMBL28175299

CC(C)(C)OOC(=O)c1ccc(CCl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
TSHR P16473 2/20 0.61
HSD17B10 Q99714 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
CYP4A11 Q02928 3/20 0.37
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP4F2 P78329 2/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.35

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
SCHEMBL11126724 0.85 TSHR (0.80) ALDH1A1TSHRHSD17B10TDP1CA1
SCHEMBL7655938 0.83 CA1 (0.59) ALDH1A1TSHRHSD17B10TDP1CA1
SCHEMBL27864995 0.83 ALDH1A1 (0.61) ALDH1A1TSHRHSD17B10TDP1CA1
SCHEMBL27571589 0.83 ALDH1A1 (0.61) ALDH1A1TSHRHSD17B10TDP1CA1
SCHEMBL27673382 0.83 LOXL2 (0.61) ALDH1A1TSHRHSD17B10TDP1CA1
SCHEMBL1919683 0.82 CA1 (0.50) ALDH1A1CA1CA2MEN1KMT2A
SCHEMBL23820031 0.81 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10TDP1CA1
SCHEMBL27728611 0.81 TSHR (0.59) ALDH1A1TSHRHSD17B10TDP1CA1
SCHEMBL27775507 0.81 ALDH1A1 (0.58) ALDH1A1TSHRHSD17B10TDP1LOXL2
SCHEMBL9403236 0.80 ALDH1A1 (0.67) ALDH1A1TSHRHSD17B10TDP1CA1

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
CN-107438593-A THERAPEUTIC COMPOUNDS AND USES THEREOF 基因泰克公司 2017-12-05 CN disclosed