SCHEMBL10491007

SCHEMBL10491007

CCN1C(=O)c2ccccc2C1=O.O=S(=O)(O)Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 3/20 0.53
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.47
CASP3 P42574 2/20 0.47
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
DRD3 P35462 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
ATM Q13315 1/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
HPGD P15428 1/20 0.45
CASP1 P29466 1/20 0.45
MPI P34949 1/20 0.45

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
SCHEMBL1199669 0.92 CYP1B1 (0.56) CYP1B1ALDH1A1KDM4ELMNAPOLB
Sulfuric Acid SCHEMBL29217851 0.92 CYP1B1 (0.56) CYP1B1ALDH1A1KDM4ELMNAPOLB
SCHEMBL29969387 0.86 CYP1B1 (0.67) CYP1B1ALDH1A1KDM4ELMNAPOLB
SCHEMBL92102 0.86 CYP1B1 (0.67) CYP1B1ALDH1A1KDM4ELMNAPOLB
SCHEMBL2469135 0.84 CYP1B1 (0.64) CYP1B1ALDH1A1KDM4ELMNAPOLB
Water SCHEMBL3507216 0.84 CYP1B1 (0.64) CYP1B1ALDH1A1KDM4ELMNAPOLB
Bromide SCHEMBL17510003 0.84 CYP1B1 (0.64) CYP1B1ALDH1A1KDM4ELMNAPOLB
SCHEMBL27494119 0.78 GLS (0.52) CASP3CA9CA1CA2DRD3
Ethane SCHEMBL11688465 0.78 CYP1B1 (0.53) CYP1B1ALDH1A1KDM4ELMNAPOLB
SCHEMBL28741362 0.75 ALDH1A1 (0.55) ALDH1A1MEN1KMT2A

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-0108854-B1 DRUG FOR STIMULATING HEPATIC CELL HOMEOSTASIS AND FOR RESTORING THE FUNCTIONAL CAPACITY OF THE HEPATOCYTES ARCONTHORN LIMITED (GB) 1986-04-23 EP claimed
EP-0108854-A1 Drug for stimulating hepatic cell homeostasis and for restoring the functional capacity of the hepatocytes ARCONTHORN LIMITED (GB) 1984-05-23 EP claimed
US-4812512-A SOLID PHASE SYNTHESIS OF OLIGONUCLEOTIDES ROUSSEL UCLAF (FR) 1989-03-14 US disclosed
EP-0108854-B1 DRUG FOR STIMULATING HEPATIC CELL HOMEOSTASIS AND FOR RESTORING THE FUNCTIONAL CAPACITY OF THE HEPATOCYTES ARCONTHORN LIMITED (GB) 1986-04-23 EP disclosed
US-4511580-A AMINOETHYLTHIOSULFONIC ACID ARCONTHORN LIMITED (GB) 1985-04-16 US disclosed
US-4508733-A AMINOETHANETHIOSULFONIC ACID ARCONTHORN LIMITED (GB) 1985-04-02 US disclosed
EP-0108854-A1 Drug for stimulating hepatic cell homeostasis and for restoring the functional capacity of the hepatocytes ARCONTHORN LIMITED (GB) 1984-05-23 EP disclosed