SCHEMBL8328950

SCHEMBL8328950

COC1=Cc2c(C(=O)O)c(Cl)c(-c3cccnc3F)n2CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.37
IDO1 P14902 3/20 0.34
NAPRT Q6XQN6 1/20 0.33
GSK3B P49841 1/20 0.32
FPR1 P21462 1/20 0.30
FPR2 P25090 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
PDE4A P27815 1/20 0.30
GPR84 Q9NQS5 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
SCHEMBL7963272 0.92 GSK3B (0.32) DHODHGSK3BFPR1FPR2PDE4A
SCHEMBL7952322 0.91 SQOR (0.34) DHODHGSK3BFPR1FPR2
SCHEMBL7961829 0.91 IDO1 (0.35) IDO1GSK3BFPR1FPR2
SCHEMBL8325837 0.90 DHODH (0.38) DHODHIDO1NPC1RAB9A
SCHEMBL7965124 0.82 DHODH (0.32) DHODH
SCHEMBL7961118 0.81 HSP90AA1 (0.35) IDO1GSK3BFPR1FPR2
SCHEMBL7965202 0.81 HPGD (0.32) DHODH
SCHEMBL7952692 0.81 IDO1 (0.36) DHODHIDO1GSK3B
SCHEMBL7962634 0.81 CYP11B2 (0.36)
SCHEMBL8330546 0.80 CYP11B2 (0.37)

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