SCHEMBL7810035

SCHEMBL7810035

N#CCCCOc1ccc(-c2cc(O)ccc2Cc2ccc(OCCN3CCCC3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 15/20 0.55
ESR2 Q92731 10/20 0.55
F2 P00734 3/20 0.50
PSMB1 P20618 1/20 0.49
PSMB5 P28074 1/20 0.49
PSMB2 P49721 1/20 0.49
LTA4H P09960 1/20 0.46

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
SCHEMBL7574644 0.89 ESR1 (0.67) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL7351518 0.87 LTA4H (0.56) PSMB1PSMB5PSMB2LTA4H
SCHEMBL7442171 0.87 ESR1 (0.59) ESR1ESR2F2PSMB1PSMB5
SCHEMBL7820299 0.86 HRH3 (0.57) PSMB1PSMB5PSMB2LTA4H
SCHEMBL7442357 0.84 F2 (0.70) ESR1ESR2F2
SCHEMBL7439386 0.82 F2 (0.67) ESR1ESR2F2
SCHEMBL229218 0.82 ESR1 (0.58) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL7502080 0.81 F2 (0.66) ESR1ESR2F2LTA4H
SCHEMBL7437099 0.80 F2 (0.68) ESR1ESR2F2
SCHEMBL228266 0.79 ESR1 (0.64) ESR1ESR2LTA4H

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-1027051-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2001-03-07 EP disclosed
EP-1027051-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-08-16 EP disclosed
WO-1998048804-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed