SCHEMBL7979480

SCHEMBL7979480

CC1=Cc2c(-c3ccc4cc5ccccc5cc4c3)cccc2C1[Zr](Cl)Cl

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ABL1 P00519 2/20 0.31
DHFR P00374 1/20 0.31
ESR2 Q92731 1/20 0.31
MET P08581 1/20 0.30

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
SCHEMBL7601711 0.96 GSTP1 (0.37) GSTP1SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL28941567 0.84 GSTP1 (0.38) GSTP1SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL27444926 0.83
SCHEMBL3163967 0.82 BRD4 (0.33)
SCHEMBL27462366 0.81 CHEK1 (0.33) ABL1MET
SCHEMBL1010160 0.81 GSTP1 (0.36) GSTP1SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL6909591 0.81 GSTP1 (0.36) GSTP1SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL27557395 0.81 GSTP1 (0.36) GSTP1SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL6889133 0.81 EDNRB (0.32)
SCHEMBL27464559 0.81 CES1 (0.35)

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-1138680-C Container for heating and sterilizing ������ѧ��ʽ���� 2004-02-18 CN disclosed
US-6194501-B1 ALPHA-OLEFIN-VINYLAROMATIC COPOLYMER AND TACKIFIER RESINS MITSUI CHEMICALS INC (JP) 2001-02-27 US disclosed