SCHEMBL28166642

SCHEMBL28166642

CCCCCc1ccc(O)c(N=O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KAT8 Q9H7Z6 2/20 0.56
▸ PPARA Q07869 1/20 0.53
▸ ESR1 P03372 2/20 0.49
▸ ADRA2A P08913 2/20 0.49
▸ ADORA3 P0DMS8 2/20 0.49
▸ TACR2 P21452 2/20 0.49
▸ SLC6A2 P23975 2/20 0.49
▸ SLC6A4 P31645 2/20 0.49
▸ SLC6A3 Q01959 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ PTGS2 P35354 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ SHBG P04278 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ HSPD1 P10809 1/20 0.49
▸ ADRB3 P13945 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ HSPE1 P61604 1/20 0.49

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
SCHEMBL1029877 0.95 KAT8 (0.50) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL26313484 0.81 HTT (0.59) KAT8PPARASLC6A2SLC6A4SLC6A3
SCHEMBL3282385 0.80 TRPA1 (0.57) ESR1ALDH1A1KDM4ELMNAHSD17B10
SCHEMBL18850328 0.80 SKP2 (0.53) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL10597267 0.80 KAT8 (0.49) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL21252717 0.80 MAPT (0.42) ADRA2AADORA3SLC6A2SLC6A4SLC6A3
SCHEMBL20429859 0.80 CNR1 (0.57) KAT8PPARACYP3A4ALDH1A1TP53
SCHEMBL11681434 0.78 KAT8 (0.51) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL11681430 0.78 KAT8 (0.51) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL16249754 0.78 KAT8 (0.51) KAT8PPARAESR1ADRA2AADORA3

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
CN-106999852-A The method produced for improved reactive monomer 赢创德固赛有限公司 2017-08-01 — — CN disclosed
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