SCHEMBL5012402

SCHEMBL5012402

C[C](c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
CDC25B P30305 1/20 0.48
PLK1 P53350 1/20 0.48
MMP3 P08254 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
PTPN1 P18031 1/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
PTK2B Q14289 1/20 0.43
CYP1A2 P05177 3/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
CYP3A4 P08684 2/20 0.42

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
SCHEMBL8425279 0.89 HPRT1 (0.50) NR4A1NR4A2NR4A3CDC25BPLK1
SCHEMBL3255960 0.87 NR4A1 (0.58) NR4A1NR4A2NR4A3CDC25BPLK1
SCHEMBL6967971 0.81 HPGD (0.50) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL16105323 0.81 ALDH1A1 (0.54) NR4A1NR4A2NR4A3ALDH1A1L3MBTL1
SCHEMBL5012386 0.78 NR4A1 (0.59) NR4A1NR4A2NR4A3CDC25BPLK1
SCHEMBL40515 0.78 NR4A1 (0.59) NR4A1NR4A2NR4A3CDC25BPLK1
SCHEMBL66680 0.78 NR4A1 (0.58) NR4A1NR4A2NR4A3CDC25BPLK1
SCHEMBL3239920 0.77 NR4A1 (0.58) NR4A1NR4A2NR4A3CDC25BPLK1
SCHEMBL23709160 0.77 NR4A1 (0.57) NR4A1NR4A2NR4A3CDC25BPLK1
SCHEMBL4057395 0.77 NR4A1 (0.57) NR4A1NR4A2NR4A3CDC25BPLK1

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
US-5955509-A POLY(VINYL N-HETEROCYCLE)-BLOCK-POLY(ALKYLENE OXIDE) COPOLYMERS IN MICELLE CONTAINING PHARMACEUTICAL FORMULATIONS. BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1999-09-21 US claimed
US-20080207864-A1 Organosilanes, Process For Production of the Same, and Use Thereof SHARP KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed
US-5955509-A POLY(VINYL N-HETEROCYCLE)-BLOCK-POLY(ALKYLENE OXIDE) COPOLYMERS IN MICELLE CONTAINING PHARMACEUTICAL FORMULATIONS. BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1999-09-21 US disclosed