SCHEMBL10850171

SCHEMBL10850171

CCC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.42
FAAH O00519 1/20 0.39
MAOA P21397 4/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP13 P45452 1/20 0.37
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 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
SCHEMBL9558346 0.89 MAOB (0.45) MAOBFAAHMAOALMNAHTT
SCHEMBL10864723 0.84 MAOB (0.41) MAOBFAAHMAOALMNAHTT
SCHEMBL10854985 0.84 NPC1 (0.45) FAAHLMNAHTTALDH1A1KDM4E
SCHEMBL10849876 0.83 KDM4E (0.43) LMNAHTTALDH1A1KDM4ETDP1
SCHEMBL10850486 0.83 NPC1 (0.40) FAAHLMNAALDH1A1KDM4ETDP1
SCHEMBL9557944 0.82 FFAR1 (0.39) LMNAHTTALDH1A1KDM4ETDP1
SCHEMBL10853256 0.82 NPC1 (0.39) LMNAHTTALDH1A1KDM4ETDP1
SCHEMBL9558434 0.82 FAAH (0.42) FAAHLMNAHTTALDH1A1KDM4E
SCHEMBL10852524 0.82 FFAR1 (0.40) FAAHLMNAALDH1A1KDM4ETDP1
SCHEMBL10850331 0.81 NPC1 (0.40) LMNAHTTALDH1A1KDM4ETDP1

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
US-4570005-A REACTING THE ARYL PROPYL CHLORIDE WITH THE CORRESPONDING ARYL ALCOHOL OR ARYL MERCAPTAN MITSUITOATSU CHEMICALS INC. (JP) 1986-02-11 US disclosed
US-4397864-A LOW TOXICITY MITSUITOATSU CHEMICALS INC. (JP) 1983-08-09 US disclosed