SCHEMBL21310477

SCHEMBL21310477

CC1CCC(C(=O)NC(Cc2ccc3ccccc3c2)C(=O)NCCCCC(NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)CC1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 19/20 0.72
▸ PLG P00747 1/20 0.53
▸ PRSS1 P07477 1/20 0.53
▸ PRSS2 P07478 1/20 0.53
▸ PRSS3 P35030 1/20 0.53

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
SCHEMBL22883091 1.00 FOLH1 (0.72) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL27303660 0.92 FOLH1 (0.73) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL22883093 0.92 FOLH1 (0.75) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL22697050 0.92 FOLH1 (0.72) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL23553003 0.91 FOLH1 (0.76) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL28659047 0.91 FOLH1 (0.76) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL29679477 0.91 FOLH1 (0.76) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL29679057 0.91 FOLH1 (0.76) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL26090338 0.91 FOLH1 (0.76) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL26178698 0.91 FOLH1 (0.78) FOLH1PLGPRSS1PRSS2PRSS3

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
WO-2019165200-A1 CHEMICAL CONJUGATES OF EVANS BLUE DERIVATIVES AND THEIR USE AS RADIOTHERAPY AND IMAGING AGENTS FOR TARGETING PROSTATE CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-08-29 — — WO disclosed
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