SCHEMBL8327360

SCHEMBL8327360

O=C(O)c1c(C(F)(F)F)c(-c2cccnc2F)n2c1C(O)CCC2

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.35
ABL1 P00519 2/20 0.34
SMO Q99835 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
HCRTR1 O43613 6/20 0.33
FFAR4 Q5NUL3 3/20 0.33
PLAU P00749 1/20 0.32
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32
ELANE P08246 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
SCHEMBL7965403 0.91 HCRTR1 (0.34) ABL1SMOHCRTR1FFAR4PLAU
SCHEMBL7962948 0.91 PLAU (0.35) ABL1SMOHCRTR1PLAUFPR1
SCHEMBL7965416 0.88 ABL1 (0.37) ABL1SMOHCRTR1FPR1FPR2
SCHEMBL8330824 0.85 DHODH (0.43) DHODHABL1NAPRTHCRTR1FFAR4
SCHEMBL8330821 0.85 DHODH (0.36) DHODHABL1NAPRTFFAR4PLAU
SCHEMBL8327934 0.83 DHODH (0.35) DHODHABL1NAPRTFFAR4ELANE
SCHEMBL8328159 0.83 DHODH (0.37) DHODHABL1NAPRTHCRTR1FFAR4
SCHEMBL7962136 0.82 KCNMA1 (0.35) ABL1
SCHEMBL7952972 0.80 HCRTR1 (0.34) DHODHHCRTR1
SCHEMBL7961238 0.80 ALDH1A1 (0.32) HCRTR1

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 4 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
EP-0946555-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-06 EP disclosed
WO-1998025925-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-06-18 WO disclosed