SCHEMBL8330824

SCHEMBL8330824

Cc1c(C(=O)O)c2n(c1-c1cccnc1F)CCCC2O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.43
PTGS2 P35354 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
FFAR4 Q5NUL3 2/20 0.33
KMT2A Q03164 1/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC18A3 Q16572 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
ABL1 P00519 1/20 0.32
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32

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
SCHEMBL7962693 0.92 DHODH (0.36) DHODHPTGS2FFAR4HCRTR1HCRTR2
SCHEMBL7953432 0.91 MKNK1 (0.37) DHODHPTGS2FFAR4HCRTR1HCRTR2
SCHEMBL7967665 0.89 ABL1 (0.35) DHODHPTGS2KMT2AHCRTR1HCRTR2
SCHEMBL8328159 0.89 DHODH (0.37) DHODHNAPRTFFAR4KMT2AHCRTR1
SCHEMBL8330821 0.87 DHODH (0.36) DHODHNAPRTFFAR4SLC18A3HCAR2
SCHEMBL8327360 0.85 DHODH (0.35) DHODHNAPRTFFAR4HCRTR1ABL1
SCHEMBL8327934 0.85 DHODH (0.35) DHODHNAPRTFFAR4KMT2AKDM4E
SCHEMBL7964887 0.82 L3MBTL1 (0.33) DHODHFFAR4HCRTR1HCRTR2NPC1
SCHEMBL7964307 0.82 FPR1 (0.35) DHODHFFAR4HCRTR1SLC18A3ABL1
SCHEMBL7962621 0.82 ABL1 (0.35) KMT2AHCRTR1HCRTR2NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946555-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-06 EP claimed
WO-1998025925-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-06-18 WO claimed