SCHEMBL8916661

SCHEMBL8916661

CC1(c2ccccc2)C(c2ccc(OCCN3CCCCC3)cc2)C1(Cl)Cl

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 10/20 0.54
PSMB1 P20618 6/20 0.53
PSMB5 P28074 5/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HRH3 Q9Y5N1 1/20 0.51
PSMB2 P49721 3/20 0.51
ESR1 P03372 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL8915859 0.95 LTA4H (0.54) LTA4HPSMB1PSMB5MEN1KMT2A
SCHEMBL8917765 0.91 LTA4H (0.56) LTA4HMEN1KMT2AHRH3ESR1
SCHEMBL8916605 0.86 LTA4H (0.56) LTA4HMEN1KMT2AHRH3ESR1
SCHEMBL8915699 0.81 LTA4H (0.58) LTA4HPSMB1PSMB5MEN1KMT2A
SCHEMBL8846067 0.80 LTA4H (0.59) LTA4HPSMB1PSMB5HRH3PSMB2
SCHEMBL10571615 0.79 LTA4H (0.61) LTA4HPSMB1PSMB5MEN1KMT2A
SCHEMBL8915518 0.77 LTA4H (0.55) LTA4HPSMB1PSMB5MEN1KMT2A
SCHEMBL5870409 0.76 LTA4H (0.83) LTA4HPSMB1PSMB5HRH3PSMB2
SCHEMBL3951411 0.76 LTA4H (0.83) LTA4HPSMB1PSMB5HRH3PSMB2
SCHEMBL10575062 0.75 LTA4H (0.61) LTA4HPSMB1PSMB5HRH3PSMB2

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-5658951-A ANTIESTROGENS, ANTITUMOR AGENTS RESEARCH CORPORATION TECHNOLOGIES (US) 1997-08-19 US disclosed