SCHEMBL7186562

SCHEMBL7186562

[CH2]CCCCC1C=CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PSMB11 A5LHX3 1/20 0.32
PSMA7 O14818 1/20 0.32
PSMB1 P20618 1/20 0.32
PSMA1 P25786 1/20 0.32
PSMA2 P25787 1/20 0.32
PSMA3 P25788 1/20 0.32
PSMA4 P25789 1/20 0.32
PSMB8 P28062 1/20 0.32
PSMB9 P28065 1/20 0.32
PSMA5 P28066 1/20 0.32
PSMB4 P28070 1/20 0.32
PSMB6 P28072 1/20 0.32
PSMB5 P28074 1/20 0.32
PSMB10 P40306 1/20 0.32
PSMB3 P49720 1/20 0.32
PSMB2 P49721 1/20 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
SCHEMBL9214163 0.98 USP2 (0.40) USP2ALDH1A1ALOX15TDP1PSMB11
SCHEMBL7992361 0.94 USP2 (0.35) USP2ALDH1A1ALOX15TDP1PSMB11
SCHEMBL7994806 0.88 USP2 (0.34) USP2ALDH1A1ALOX15TDP1
SCHEMBL7994378 0.86 USP2 (0.33) USP2ALDH1A1ALOX15TDP1
SCHEMBL7994375 0.86 USP2 (0.33) USP2ALDH1A1ALOX15TDP1
SCHEMBL6322738 0.86 USP2 (0.49) USP2ALDH1A1ALOX15TDP1
SCHEMBL7991287 0.85
SCHEMBL3292247 0.81
SCHEMBL8199466 0.80 USP2 (0.33) USP2ALDH1A1ALOX15TDP1PSMB11
SCHEMBL16398324 0.80 USP2 (0.41) USP2ALDH1A1ALOX15TDP1PSMB11

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-1272463-A1 ENHANCED PROPERTIED PHARMACEUTICALS ROHM AND HAAS COMPANY (US) 2003-01-08 EP disclosed
EP-0742218-B1 PYRROLOPYRIDAZINE DERIVATIVE SANKYO CO (JP) 2002-12-04 EP disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed
WO-2001054481-A2 ENHANCED PROPERTIED PHARMACEUTICALS ROHM AND HAAS COMPANY (US) 2001-08-02 WO disclosed
WO-2001055082-A2 INTERMEDIATES FOR BIOLOGICALLY ACTIVE COMPOUNDS ROHM AND HAAS COMPANY (US) 2001-08-02 WO disclosed
US-6063782-A Pyrrolopyridazine derivatives SANKYO COMPANY, LIMITED (JP) 2000-05-16 US disclosed
EP-0742218-A1 PYRROLOPYRIDAZINE DERIVATIVE SANKYO COMPANY LIMITED (JP) 1996-11-13 EP disclosed