SCHEMBL4070440

SCHEMBL4070440

NC(=O)C(CC(O)[CH]Cc1ccccc1)CC1(O)CCCCC1C(N)=O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 7/20 0.32
LTB4R2 Q9NPC1 5/20 0.32
MME P08473 1/20 0.32
CCR1 P32246 2/20 0.31
EPHX1 P07099 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC6A9 P48067 1/20 0.30

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
SCHEMBL4065572 0.82 CCR1 (0.34) LTB4RLTB4R2CCR1EPHX1HPGD
SCHEMBL6836075 0.82 CCR1 (0.34) LTB4RLTB4R2CCR1EPHX1HPGD
SCHEMBL7677385 0.82 CCR1 (0.34) LTB4RLTB4R2MMECCR1EPHX1
SCHEMBL4059663 0.81 CCR1 (0.35) LTB4RLTB4R2CCR1EPHX1HPGD
SCHEMBL4063721 0.79 LTB4R (0.36) LTB4RLTB4R2CCR1SMN1; SMN2
SCHEMBL4065712 0.74 SMN1; SMN2 (0.37) LTB4RLTB4R2CCR1SMN1; SMN2
SCHEMBL7581837 0.74 SMN1; SMN2 (0.37) LTB4RLTB4R2CCR1SMN1; SMN2
SCHEMBL4060331 0.72 CCR1 (0.35) LTB4RLTB4R2CCR1SMN1; SMN2
SCHEMBL4068412 0.72 CCR1 (0.34) MMECCR1
SCHEMBL4068616 0.72 CCR1 (0.35) CCR1EPHX1

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-0966443-B1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER (US) 2009-01-28 EP disclosed
EP-0966443-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1999-12-29 EP disclosed
WO-1998038167-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1998-09-03 WO disclosed