SCHEMBL5870544

SCHEMBL5870544

CC(CC(=O)O)Cc1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.60
KDM4E B2RXH2 2/20 0.60
PSMB1 P20618 4/20 0.57
PSMB5 P28074 4/20 0.57
PSMB2 P49721 3/20 0.57
HRH3 Q9Y5N1 1/20 0.56
LTA4H P09960 6/20 0.55
HTT P42858 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL8251179 0.82 PSMB1 (0.69) ACACBPSMB1PSMB5PSMB2HRH3
SCHEMBL2741674 0.80 PSMB1 (0.68) KDM4EPSMB1PSMB5PSMB2HRH3
SCHEMBL2741675 0.80 PSMB1 (0.68) KDM4EPSMB1PSMB5PSMB2HRH3
SCHEMBL8245067 0.80 PSMB1 (0.67) ACACBKDM4EPSMB1PSMB5PSMB2
Hydrochloric Acid SCHEMBL228735 0.79 PSMB1 (0.66) KDM4EPSMB1PSMB5PSMB2HRH3
Hydrochloric Acid SCHEMBL228395 0.79 PSMB1 (0.66) KDM4EPSMB1PSMB5PSMB2HRH3
SCHEMBL7240783 0.79 PSMB1 (0.65) KDM4EPSMB1PSMB5PSMB2HRH3
SCHEMBL16379389 0.79 PSMB1 (0.61) ACACBKDM4EPSMB1PSMB5PSMB2
SCHEMBL31754269 0.79 ITGB3 (0.60) ACACBKDM4EPSMB1PSMB5PSMB2
SCHEMBL26399344 0.79 ITGB3 (0.60) ACACBKDM4EPSMB1PSMB5PSMB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105679-B2 Heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators KANOJIA RAMESH M 2006-09-12 US disclosed