SCHEMBL6561051

SCHEMBL6561051

CC1(C)CC(O)c2cc(CC(N)=O)ccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPK1 P28482 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
PGR P06401 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC22A12 Q96S37 1/20 0.34
CYP26A1 O43174 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 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
SCHEMBL6562441 0.81 SLC6A2 (0.35) CA2KDM4EMAPK1SLC6A2SLC6A4
SCHEMBL10511630 0.70 PGR (0.41) SLC6A2SLC6A4SLC6A3POLBPGR
SCHEMBL6561042 0.70 CA2 (0.39) CA2KDM4EMAPK1LMNAPOLB
SCHEMBL9156355 0.69 HIF1A (0.46) LMNAALDH1A1TSHRMAPT
SCHEMBL10512966 0.68 PGR (0.45) KDM4ESLC6A2SLC6A4SLC6A3PGR
SCHEMBL2053058 0.68 CYP26A1 (0.46) CA2LMNAALDH1A1HSD17B10CYP26A1
SCHEMBL9158928 0.67 PGR (0.53) KDM4ELMNAPGR
SCHEMBL14101425 0.66 PGR (0.44) KDM4EMAPK1PGRALDH1A1TSHR
SCHEMBL1508195 0.66 PGR (0.44) KDM4EMAPK1PGRALDH1A1TSHR
SCHEMBL5569860 0.65 CA2 (0.43) CA2KDM4EMAPK1SLC6A2SLC6A4

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-1085009-B1 INDAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2004-11-10 EP disclosed
US-6486178-B1 Indane derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-26 US disclosed
EP-1085009-A1 INDAN DERIVATIVES Nissan Chemical Industries, Ltd. (JP) 2001-03-21 EP disclosed