SCHEMBL1025827

SCHEMBL1025827

CCCCC1=C(c2cccc(C(=O)O)c2)C(=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.44
KMO O15229 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
RARB P10826 1/20 0.40
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
KMT2A Q03164 1/20 0.39
CD74 P04233 1/20 0.38
MIF P14174 1/20 0.38

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
SCHEMBL1072869 0.85 CYP4F2 (0.46)
SCHEMBL1020778 0.84 PTPN11 (0.42) PTPN11KMONR1H4LTB4R2RARB
SCHEMBL1020777 0.84 PTPN11 (0.42) PTPN11KMONR1H4LTB4R2RARB
SCHEMBL1021752 0.84 RARB (0.55) RARBRXRAKMT2A
SCHEMBL1020035 0.83 ESR1 (0.40)
SCHEMBL1021653 0.81 KDM4E (0.37)
SCHEMBL1021866 0.81 CHRNB4 (0.38)
SCHEMBL1021433 0.80 NPC1 (0.36)
SCHEMBL1022356 0.80 BRD4 (0.40)
SCHEMBL1022920 0.78 BRD4 (0.42) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841729-B1 2-CYCLOPENTEN-1-ONE OXIME DERIVATIVES INHIBITING PRODUCTION OF TNF-ALPHA AMOREPACIFIC CORP (KR) 2011-01-12 EP claimed