SCHEMBL4316633

SCHEMBL4316633

NC(=O)CC[CH]c1ccc(S(=O)(=O)CCCO)nc1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.36
PPARD Q03181 2/20 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
SCHEMBL13358911 0.84 ALDH1A1 (0.33)
SCHEMBL4308557 0.84 CA2 (0.36) CA2
SCHEMBL14813153 0.83 CA2 (0.36) CA2PPARD
SCHEMBL3466088 0.80 PIK3CD (0.33) CA2
SCHEMBL14813114 0.79 BRAF (0.34)
SCHEMBL13359499 0.76 KMT2A (0.34) CA2
SCHEMBL14813206 0.76 POLB (0.38)
SCHEMBL13358967 0.76 HTT (0.32)
SCHEMBL4314286 0.76 CA2 (0.38) CA2
SCHEMBL13358933 0.75 HTR2A (0.30)

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-2297112-B1 PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2013-04-03 EP disclosed
US-8293917-B2 Pyrazole compounds as CCR1 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
WO-2009137338-A1 PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-12 WO disclosed