SCHEMBL9538345

SCHEMBL9538345

CCn1c2ccccc2c2cc3cccc(CNC(C)(CO)COS(C)(=O)=O)c3cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.38
SLC2A1 P11166 1/20 0.38
MAPT P10636 7/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
LMNA P02545 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
NPY5R Q15761 2/20 0.36
PTGER4 P35408 2/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 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
SCHEMBL9538335 0.91 SLC2A1 (0.46) RORCSLC2A1MAPTMEN1KMT2A
SCHEMBL9536368 0.88 MAPT (0.41) RORCSLC2A1MAPTMEN1KMT2A
SCHEMBL9537180 0.84 RORC (0.35) RORCSLC2A1MAPTMEN1KMT2A
SCHEMBL9779115 0.79 SLC2A1 (0.39) SLC2A1MAPTMEN1KMT2ALMNA
SCHEMBL9537874 0.79 SLC2A1 (0.41) SLC2A1MAPTALDH1A1POLB
SCHEMBL10630223 0.78 SLC2A1 (0.48) SLC2A1ALDH1A1KDM4EHPGD
SCHEMBL9538342 0.78 MAPT (0.37) RORCMAPTMEN1KMT2ALMNA
SCHEMBL9754641 0.77 SLC2A1 (0.45) RORCSLC2A1MAPTMEN1KMT2A
SCHEMBL10484210 0.75 SLC2A1 (0.48) SLC2A1LMNA
SCHEMBL9779041 0.75 SLC2A1 (0.46) SLC2A1MEN1KMT2ALMNACYP3A4

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
EP-0182608-B1 POLYCYCLIC COMPOUNDS, THEIR PREPARATION AND FORMULATIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1993-03-03 EP disclosed
US-4999369-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1991-03-12 US disclosed
US-4910218-A With a hydroxy containing secondary amine group BURROUGHS WELLCOME CO. (US) 1990-03-20 US disclosed