SCHEMBL11829226

SCHEMBL11829226

O=C(O)C(Cl)CCc1ccc(-c2ccccc2)c(S)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.41
▸ KMT2A Q03164 1/20 0.39
▸ MMP12 P39900 3/20 0.38
▸ MMP13 P45452 2/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP14 P50281 1/20 0.38
▸ MME P08473 2/20 0.38
▸ ACE P12821 1/20 0.37
▸ CPA1 P15085 1/20 0.37
▸ ACE2 Q9BYF1 1/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ ABCC4 O15439 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 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
SCHEMBL11837086 0.86 BACE1 (0.44) FOLH1KMT2AMMP12MMP13MMP2
SCHEMBL11823054 0.84 CSNK2A1 (0.53) FOLH1KMT2AMMP12MMP13MMP2
SCHEMBL11827837 0.83 PPARG (0.49) KMT2AMMP13MMP2MMP9MMP14
SCHEMBL11837826 0.83 PTGS1 (0.49) KMT2AMMP2BACE1LMNATSHR
SCHEMBL11828303 0.83 ADAMTS4 (0.41) FOLH1KMT2AMMP12MMP13MMP2
SCHEMBL11832248 0.83 KMT2A (0.39) FOLH1KMT2AMMP12MMP13MMP2
SCHEMBL11821466 0.83 CD274 (0.39) FOLH1KMT2AMMP12MMP13MMP2
SCHEMBL11831544 0.83 MMP2 (0.47) MMP2PPARGPPARA
SCHEMBL11830550 0.81 FOLH1 (0.46) FOLH1KMT2AMMP12MMP13MMP2
SCHEMBL11838632 0.80 ADRB1 (0.45) KMT2AMMP12MMP2GAAPPARG

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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