SCHEMBL7423907

SCHEMBL7423907

CC(C)CC(C(=O)O)N(CCc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 12/20 0.56
SHMT2 P34897 8/20 0.56
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
CRHBP P24387 1/20 0.40
RAB9A P51151 1/20 0.40
CRHR2 Q13324 1/20 0.40
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPT P10636 1/20 0.39
ALPL P05186 1/20 0.39
PRKD3 O94806 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
IL1R1 P14778 1/20 0.39
PRKCA P17252 1/20 0.39
TNFRSF1A P19438 1/20 0.39
PRKCH P24723 1/20 0.39
PRKCI P41743 1/20 0.39

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
SCHEMBL7422281 0.85 SHMT1 (0.39) SHMT1SHMT2MAPTTLR7
SCHEMBL1655299 0.82 ATM (0.46) KDM4ESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL7425245 0.81 HSD17B10 (0.39) SHMT1SHMT2KDM4ESMN1; SMN2NPC1
SCHEMBL7426729 0.80 TP53 (0.39) SHMT1SHMT2SMN1; SMN2RAB9AMAPT
SCHEMBL7382337 0.78 MAPT (0.41) SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL7424356 0.78 HDAC1 (0.36) SHMT1SHMT2SMN1; SMN2RAB9AMAPT
SCHEMBL7421354 0.76 NOTUM (0.46) SMN1; SMN2NPC1RAB9ACYP2C9MAPT
SCHEMBL7420766 0.76 ALDH1A1 (0.47) SHMT1SHMT2KDM4ESMN1; SMN2MAPT
SCHEMBL5870566 0.75 SHMT1 (0.60) SHMT1SHMT2KDM4ESMN1; SMN2NPC1
SCHEMBL21560079 0.75 SHMT1 (0.79) SHMT1SHMT2

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-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed