SCHEMBL9506014

SCHEMBL9506014

CCCCCC1CC=CC2C(=O)NC(=O)C12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 1/20 0.33
HLCS P50747 2/20 0.33
CYP1A2 P05177 2/20 0.33
PSMB11 A5LHX3 3/20 0.32
PSMA7 O14818 3/20 0.32
PSMB1 P20618 3/20 0.32
PSMA1 P25786 3/20 0.32
PSMA2 P25787 3/20 0.32
PSMA3 P25788 3/20 0.32
PSMA4 P25789 3/20 0.32
PSMB8 P28062 3/20 0.32
PSMB9 P28065 3/20 0.32
PSMA5 P28066 3/20 0.32
PSMB4 P28070 3/20 0.32
PSMB6 P28072 3/20 0.32
PSMB5 P28074 3/20 0.32
PSMB10 P40306 3/20 0.32
PSMB3 P49720 3/20 0.32

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
SCHEMBL6683356 0.73 ALDH1A1 (0.35) ALDH1A1HPGD
SCHEMBL17459005 0.72
SCHEMBL7202059 0.72 TP53 (0.34) MEN1KMT2AGRM2
SCHEMBL9500654 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8594738 0.70 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1316872 0.70 POLB (0.32) ALDH1A1POLBMEN1MAPTKMT2A
SCHEMBL7617521 0.67 ALDH1A1 (0.33) ALDH1A1L3MBTL1POLBKDM4EMEN1
SCHEMBL822309 0.67 ALOX5 (0.35) ALDH1A1DNTTALOX5
SCHEMBL12937901 0.66 CYP1A2 (0.36) ALDH1A1L3MBTL1POLBHLCSCYP1A2
SCHEMBL9620412 0.65 ALDH1A1 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0447491-B1 PROTOPORPHYRINOGEN INHIBITORS AND THEIR USE IN COMPOSITIONS FOR DETECTING AND TREATING TUMOURS FMC CORP (US) 1993-08-11 EP claimed
US-4954159-A PLANT GROWTH REGULATORS FMC CORPORATION (US) 1990-09-04 US disclosed
US-4932996-A Phosphorylaminophenyltetrazolinone herbicides FMC CORPORATION (US) 1990-06-12 US disclosed
WO-1990003731-A1 HERBICIDAL PHOSPHORYLAMINOPHENYL-SUBSTITUTED HETEROCYCLES FMC CORPORATION (US) 1990-04-19 WO disclosed
US-4902338-A Phosphorylaminophenylhydantoin herbicides FMC CORPORATION (US) 1990-02-20 US disclosed
US-4898606-A Phosphorylaminophenyltriazolinone herbicides FMC CORPORATION (US) 1990-02-06 US disclosed
US-4844733-A PRE- AND POSTEMERGENCE BASF AKTIENGESELLSCHAFT (DE) 1989-07-04 US disclosed