SCHEMBL7472540

SCHEMBL7472540

CC=CCn1c(C(=O)OCC)cc(C)c1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
POLB P06746 3/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 7/20 0.37
MAPT P10636 5/20 0.37
TDP1 Q9NUW8 4/20 0.37
RECQL P46063 1/20 0.37
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
ATM Q13315 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL7472537 1.00 TSHR (0.37) TSHRPOLBHSD17B10KDM4EMAPT
SCHEMBL27462427 0.84 GPR35 (0.38) HSD17B10MAPK1
SCHEMBL27462428 0.84 GPR35 (0.38) HSD17B10MAPK1
SCHEMBL7478215 0.82 TSHR (0.38) TSHRPOLBHSD17B10KDM4EMAPT
SCHEMBL7478222 0.82 TSHR (0.38) TSHRPOLBHSD17B10KDM4EMAPT
SCHEMBL7481506 0.73 KDM4E (0.37) TSHRPOLBHSD17B10KDM4EMAPT
SCHEMBL7480402 0.71 KMT2A (0.38) TSHRPOLBKDM4ENOD2NOD1
SCHEMBL7480396 0.71 KMT2A (0.38) TSHRPOLBKDM4ENOD2NOD1
SCHEMBL27479704 0.70 L3MBTL1 (0.43) TSHRHSD17B10KDM4EMAPTNPSR1
SCHEMBL27479705 0.70 L3MBTL1 (0.43) TSHRHSD17B10KDM4EMAPTNPSR1

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-0742218-B1 PYRROLOPYRIDAZINE DERIVATIVE SANKYO CO (JP) 2002-12-04 EP 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