SCHEMBL11827162

SCHEMBL11827162

CSc1cc(CCC(Cl)C(=O)O)ccc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.36
▸ MMP12 P39900 4/20 0.36
▸ MMP13 P45452 2/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP14 P50281 1/20 0.36
▸ FOLH1 Q04609 1/20 0.36
▸ MME P08473 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ PTPN1 P18031 2/20 0.35
▸ PTGS1 P23219 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ FABP2 P12104 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ AKR1C4 P17516 1/20 0.35
▸ ADRA2B P18089 1/20 0.35

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
SCHEMBL11823363 0.88 MMP12 (0.36) KMT2AMMP12MMP13MMP2MMP9
SCHEMBL11827837 0.83 PPARG (0.49) KMT2AMMP13MMP2MMP9MMP14
SCHEMBL11837086 0.82 BACE1 (0.44) KMT2AMMP12MMP13MMP2MMP9
SCHEMBL11823054 0.81 CSNK2A1 (0.53) KMT2AMMP12MMP13MMP2MMP9
SCHEMBL11830550 0.81 FOLH1 (0.46) KMT2AMMP12MMP13MMP2MMP9
SCHEMBL11828303 0.80 ADAMTS4 (0.41) KMT2AMMP12MMP13MMP2MMP9
SCHEMBL11821466 0.80 CD274 (0.39) KMT2AMMP12MMP13MMP2MMP9
SCHEMBL11837826 0.80 PTGS1 (0.49) KMT2AMMP2PTGS1MEN1PTGS2
SCHEMBL11832248 0.80 KMT2A (0.39) KMT2AMMP12MMP13MMP2MMP9
SCHEMBL11829226 0.80 FOLH1 (0.41) KMT2AMMP12MMP13MMP2MMP9

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
US-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 — — US disclosed
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