SCHEMBL7580200

SCHEMBL7580200

NCCCCCC1=CC(=O)C(=O)c2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.71
PARK7 Q99497 1/20 0.58
NSD2 O96028 1/20 0.50
HKDC1 Q2TB90 1/20 0.50
ALDH1A1 P00352 2/20 0.42
PTPRC P08575 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
MAOA P21397 1/20 0.40
TDP1 Q9NUW8 8/20 0.40
RXRA P19793 2/20 0.40
APAF1 O14727 1/20 0.40
PTPRF P10586 1/20 0.40
CDC25B P30305 1/20 0.40

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
SCHEMBL13624709 0.78 PTPN1 (0.61) PTPN1PARK7NSD2HKDC1ALDH1A1
SCHEMBL30252636 0.77 PTPN1 (0.62) PTPN1PARK7NSD2HKDC1ALDH1A1
SCHEMBL13611379 0.75 PTPN1 (0.75) PTPN1PARK7NSD2HKDC1ALDH1A1
SCHEMBL5595788 0.74 PTPN1 (0.68) PTPN1NSD2HKDC1ALDH1A1PTPRC
SCHEMBL4196479 0.72 MEN1 (0.49) PTPN1PARK7NSD2HKDC1ALDH1A1
Hydrochloric Acid SCHEMBL4120194 0.70 MEN1 (0.47) PTPN1PARK7NSD2HKDC1ALDH1A1
SCHEMBL8022619 0.70 TDP1 (0.47) MAOATDP1RXRA
SCHEMBL14307231 0.70 PTPN1 (0.77) PTPN1NSD2ALDH1A1APAF1
SCHEMBL9628184 0.70 PTPN1 (0.77) PTPN1NSD2ALDH1A1APAF1
SCHEMBL14307222 0.70 PTPN1 (0.77) PTPN1NSD2ALDH1A1APAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1025107-B1 PHOTOCHROMIC COMPOUNDS JAMES ROBINSON LTD (GB) 2002-08-07 EP disclosed
US-6303673-B1 FOR OPTICAL ELEMENTS JAMES ROBINSON LIMITED (GB) 2001-10-16 US disclosed
EP-1025107-A1 PHOTOCHROMIC COMPOUNDS JAMES ROBINSON LIMITED (GB) 2000-08-09 EP disclosed
WO-1999020630-A1 PHOTOCHROMIC COMPOUNDS JAMES ROBINSON LIMITED (GB) 1999-04-29 WO disclosed