SCHEMBL27356033

SCHEMBL27356033

CCCC(CNCc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ HDAC1 Q13547 3/20 0.47
▸ HDAC2 Q92769 3/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ AKR1A1 P14550 1/20 0.47
▸ CHRM3 P20309 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ HRH1 P35367 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ HDAC3 O15379 2/20 0.47
▸ HDAC4 P56524 2/20 0.47
▸ HDAC8 Q9BY41 2/20 0.47
▸ ANPEP P15144 2/20 0.46
▸ MME P08473 1/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ PPARG P37231 1/20 0.46

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
SCHEMBL19773643 0.88 ANPEP (0.48) SMN1; SMN2HDAC1HDAC2HDAC3HDAC4
SCHEMBL1832075 0.87 PPARG (0.55) SMN1; SMN2TDP1HDAC8ANPEPCYP1A2
SCHEMBL25187228 0.86 CYP1A2 (0.55) SMN1; SMN2TDP1HDAC8ANPEPCYP1A2
SCHEMBL7293687 0.85 SMN1; SMN2 (0.50) SMN1; SMN2ANPEPCYP1A2ALDH1A1MEN1
SCHEMBL4992960 0.81 CYP1A2 (0.66) ANPEPCYP1A2PPARGSLC1A1CPA3
SCHEMBL13355067 0.78 DNM1 (0.53) TDP1ANPEPCYP1A2ALDH1A1MEN1
SCHEMBL13355018 0.78 DNM1 (0.53) TDP1ANPEPCYP1A2ALDH1A1MEN1
SCHEMBL15101698 0.78 DNM1 (0.53) TDP1ANPEPCYP1A2ALDH1A1MEN1
SCHEMBL20037882 0.78 CHRM1 (0.38) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL4550704 0.78 CYP1A2 (0.70) HDAC1HDAC2CHRM1AKR1A1CHRM3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1053472-C Oligonucleotides derived from the SOD family HOFFMANN LA ROCHE (CH) 2000-06-14 — — CN disclosed
CN-1106405-A Trisubstituted pyrimido [5,4-d] pyrimidines for modulating THOMAE GMBH DR K (DE) 1995-08-09 — — CN disclosed
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