SCHEMBL6562441

SCHEMBL6562441

CC(=O)CC1CC(C)(C)c2ccc(CC(N)=O)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KDM4E B2RXH2 3/20 0.34
MAPK1 P28482 2/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
CA2 P00918 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.32
CYP26A1 O43174 1/20 0.32
HSD11B1 P28845 1/20 0.31
HSD11B2 P80365 1/20 0.31

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
SCHEMBL6561051 0.81 CA2 (0.38) SLC6A2SLC6A4SLC6A3KDM4EMAPK1
SCHEMBL6562323 0.74 CTSD (0.35) LMNAALDH1A1
SCHEMBL6561042 0.69 CA2 (0.39) KDM4EMAPK1POLBLMNACA2
SCHEMBL28596915 0.65 GAA (0.41) POLBALDH1A1TSHRMAPT
SCHEMBL2053058 0.64 CYP26A1 (0.46) LMNACA2ALDH1A1HSD17B10HTT
SCHEMBL10592034 0.63 TLR3 (0.36) SLC6A2SLC6A4SLC6A3KDM4EMAPK1
SCHEMBL10339554 0.63 HSD11B1 (0.48) KDM4EHSD11B1HSD11B2
SCHEMBL31326461 0.63 HSD11B1 (0.48) KDM4EHSD11B1HSD11B2
SCHEMBL5569860 0.61 CA2 (0.43) SLC6A2SLC6A4SLC6A3KDM4EMAPK1
SCHEMBL27554946 0.61 PGR (0.38) KDM4EPOLBSLC22A12ALDH1A1MAPT

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