SCHEMBL5870566

SCHEMBL5870566

CC(C)C[C@H](NC(Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 12/20 0.60
SHMT2 P34897 8/20 0.60
ACE2 Q9BYF1 4/20 0.42
ACE P12821 3/20 0.42
PRKD3 O94806 1/20 0.42
PRKCG P05129 1/20 0.42
PRKCB P05771 1/20 0.42
IL1R1 P14778 1/20 0.42
PRKCA P17252 1/20 0.42
TNFRSF1A P19438 1/20 0.42
PRKCH P24723 1/20 0.42
PRKCI P41743 1/20 0.42
PRKCE Q02156 1/20 0.42
PRKCQ Q04759 1/20 0.42
PRKCZ Q05513 1/20 0.42
PRKCD Q05655 1/20 0.42
PRKD1 Q15139 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL5869868 1.00 SHMT1 (0.60) SHMT1SHMT2ACE2ACEPRKD3
SCHEMBL5870570 1.00 SHMT1 (0.60) SHMT1SHMT2ACE2ACEPRKD3
SCHEMBL21560223 0.85 SHMT1 (0.79) SHMT1SHMT2
SCHEMBL21560079 0.85 SHMT1 (0.79) SHMT1SHMT2
SCHEMBL5869503 0.85 ACE2 (0.48) SHMT1SHMT2ACE2ACETLR7
SCHEMBL6927461 0.85 ACE2 (0.48) SHMT1SHMT2ACE2ACETLR7
SCHEMBL5869959 0.85 ACE2 (0.48) SHMT1SHMT2ACE2ACETLR7
SCHEMBL5869952 0.85 ACE2 (0.48) SHMT1SHMT2ACE2ACETLR7
SCHEMBL6834015 0.84 SHMT1 (0.49) SHMT1SHMT2MAPT
SCHEMBL22491272 0.84 SHMT1 (0.48) SHMT1SHMT2PRKD3PRKCGPRKCB

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-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed