SCHEMBL11837086

SCHEMBL11837086

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.44
▸ ALOX5 P09917 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ EGFR P00533 2/20 0.40
▸ MMP12 P39900 2/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ FOLH1 Q04609 1/20 0.40
▸ MME P08473 1/20 0.40
▸ HCAR2 Q8TDS4 1/20 0.38
▸ IGF1R P08069 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ BCL2L1 Q07817 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ABCC4 O15439 1/20 0.38
▸ LMNA P02545 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
SCHEMBL11823054 0.87 CSNK2A1 (0.53) KMT2AMMP12MMP2MMP9MMP13
SCHEMBL11832248 0.86 KMT2A (0.39) BACE1KMT2AMMP12MMP2MMP9
SCHEMBL11828303 0.86 ADAMTS4 (0.41) BACE1KMT2AMMP12MMP2MMP9
SCHEMBL11837826 0.86 PTGS1 (0.49) BACE1KMT2AMMP2HCAR2HPGD
SCHEMBL11829226 0.86 FOLH1 (0.41) BACE1KMT2AMMP12MMP2MMP9
SCHEMBL11827837 0.86 PPARG (0.49) KMT2AMMP2MMP9MMP13MMP14
SCHEMBL11821466 0.86 CD274 (0.39) BACE1KMT2AMMP12MMP2MMP9
SCHEMBL11830550 0.83 FOLH1 (0.46) KMT2AMMP12MMP2MMP9MMP13
SCHEMBL11827462 0.82 CYP19A1 (0.44) MMP12MMP13MME
SCHEMBL11838632 0.82 ADRB1 (0.45) KMT2AMMP12MMP2GAA

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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