SCHEMBL28802020

SCHEMBL28802020

COc1ccc([S+]([O-])c2c(C)cc(C(CBr)C(=O)C(CBr)c3cc(C)c([S+]([O-])c4ccc(OC)cc4)c(C)c3)cc2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
KMT2A Q03164 4/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 3/20 0.36
AKR1C3 P42330 3/20 0.35
AKR1C2 P52895 3/20 0.35
AKR1C1 Q04828 1/20 0.35
PTGS1 P23219 1/20 0.35
MEN1 O00255 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL27898743 0.78 AKR1C3 (0.42) GSK3BTAS1R3TAS1R1KMT2AALDH1A1
SCHEMBL28277043 0.75 GSK3B (0.50) GSK3BKMT2AALDH1A1AKR1C3AKR1C2
SCHEMBL28833020 0.75 AKR1B1 (0.43) GSK3BTAS1R3TAS1R1POLBALDH1A1
SCHEMBL19500067 0.74 RAPGEF4 (0.47) KMT2APOLBALDH1A1CA1CA2
SCHEMBL28061511 0.73 F2RL1 (0.49) KMT2APOLBALDH1A1MEN1MAPT
SCHEMBL27916561 0.73 TUBB1 (0.39) GSK3BKMT2APOLBALDH1A1PTGS1
SCHEMBL28091448 0.71 FFAR4 (0.37) KMT2APOLBALDH1A1MEN1CA1
SCHEMBL27898713 0.70 KDM4E (0.43) POLBALDH1A1AKR1C3AKR1C2AKR1C1
SCHEMBL2381725 0.69 GSK3B (0.49) GSK3BKMT2APOLBALDH1A1MEN1
SCHEMBL28091556 0.68 FFAR4 (0.36) KMT2APOLBALDH1A1MEN1MAPT

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-103038231-A Modulators of HEC1 activity and methods thereof TAIVEX THERAPEUTICS INC 2013-04-10 CN disclosed