SCHEMBL11823054

SCHEMBL11823054

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 3/20 0.53
▸ ADRB1 P08588 2/20 0.42
▸ ADRB3 P13945 2/20 0.42
▸ MMP2 P08253 3/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ RORC P51449 1/20 0.40
▸ HCAR2 Q8TDS4 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MMP9 P14780 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ FOLH1 Q04609 1/20 0.39
▸ THRA P10827 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ MME P08473 1/20 0.39
▸ CD274 Q9NZQ7 2/20 0.38
▸ CSNK2A2 P19784 1/20 0.38
▸ CSNK2B P67870 1/20 0.38
▸ CSNK2A3 Q8NEV1 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
SCHEMBL11837086 0.87 BACE1 (0.44) MMP2HCAR2KMT2AMMP9MMP12
SCHEMBL11829343 0.86 CSNK2A1 (0.53) CSNK2A1ADRB1ADRB3MMP2MMP3
SCHEMBL11837826 0.84 PTGS1 (0.49) MMP2MMP3HCAR2KMT2A
SCHEMBL11827837 0.84 PPARG (0.49) MMP2MMP3HCAR2KMT2AMMP9
SCHEMBL11832248 0.84 KMT2A (0.39) CSNK2A1MMP2KMT2AMMP9MMP12
SCHEMBL11829226 0.84 FOLH1 (0.41) CSNK2A1MMP2KMT2AMMP9MMP12
SCHEMBL11828303 0.84 ADAMTS4 (0.41) CSNK2A1MMP2KMT2AMMP9MMP12
SCHEMBL11821466 0.84 CD274 (0.39) MMP2MMP3KMT2AMMP9MMP12
SCHEMBL11834253 0.84 CSNK2A1 (0.46) CSNK2A1ADRB1ADRB3MMP2MMP3
SCHEMBL11823516 0.84 MAOB (0.54) MMP2HCAR2KMT2AMMP9MMP12

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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