SCHEMBL28046162

SCHEMBL28046162

O=C1c2cc(O)c(Cl)cc2-c2cc(Cl)c(O)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 7/20 0.50
BCL2 P10415 6/20 0.50
TSHR P16473 3/20 0.48
HSD17B10 Q99714 3/20 0.48
HPGD P15428 1/20 0.48
HSP90AA1 P07900 1/20 0.44
ADRA1A P35348 1/20 0.41
ESR1 P03372 1/20 0.41
MAOA P21397 1/20 0.41
UGT1A1 P22309 1/20 0.41
MAOB P27338 1/20 0.41
ESR2 Q92731 1/20 0.41
ACLY P53396 1/20 0.38
PKLR P30613 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LCK P06239 1/20 0.37
S100A4 P26447 1/20 0.36
CES1 P23141 1/20 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
SCHEMBL11072946 0.88 BCL2 (0.67) MCL1BCL2HSD17B10HPGDMAOA
SCHEMBL27428387 0.87 BCL2 (0.72) MCL1BCL2TSHRHSD17B10HPGD
SCHEMBL11069824 0.86 HSP90AA1 (0.61) MCL1BCL2TSHRHSD17B10HPGD
SCHEMBL7980260 0.81 BCL2 (0.70) MCL1BCL2TSHRHSD17B10HPGD
SCHEMBL4321232 0.78 AHR (0.53) MCL1BCL2TSHRHSD17B10HPGD
SCHEMBL8821657 0.78 BCL2 (0.74) MCL1BCL2TSHRHSD17B10HPGD
SCHEMBL11075972 0.75 CYP1A1 (0.45) MCL1BCL2TSHRHSD17B10HPGD
SCHEMBL20191216 0.74 STAT3 (0.60) MCL1BCL2HSD17B10HPGDHSP90AA1
SCHEMBL9731778 0.74 HSD17B10 (0.68) TSHRHSD17B10HPGDHSP90AA1ADRA1A
SCHEMBL10357236 0.73 HSD17B10 (0.67) TSHRHSD17B10HPGDHSP90AA1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103145730-B Two thieno-fluorenes and derivative and preparation method EAST CHINA NORMAL UNIVERSITY (CN) 2016-02-03 CN claimed
CN-103145730-B Two thieno-fluorenes and derivative and preparation method EAST CHINA NORMAL UNIVERSITY (CN) 2016-02-03 CN disclosed
CN-103145730-B Two thieno-fluorenes and derivative and preparation method EAST CHINA NORMAL UNIVERSITY (CN) 2016-02-03 CN disclosed