SCHEMBL16376236

SCHEMBL16376236

CCCC(C)OC(=O)C(Cl)Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 5/20 0.43
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ AKR1A1 P14550 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ TSHR P16473 3/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ NFKB1 P19838 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL16375095 0.82 MAPT (0.41) FAAHCHRM1CHRM3TSHRALDH1A1
SCHEMBL880134 0.82 FAAH (0.46) FAAHCNR1CNR2HDAC1HDAC2
SCHEMBL14296417 0.82 FAAH (0.46) FAAHCNR1CNR2HDAC1HDAC2
SCHEMBL14296416 0.82 FAAH (0.46) FAAHCNR1CNR2HDAC1HDAC2
SCHEMBL4530794 0.80 FAAH (0.44) FAAHCNR1CNR2HDAC1HDAC2
SCHEMBL9012298 0.80 FAAH (0.44) FAAHCNR1CNR2HDAC1HDAC2
SCHEMBL16554067 0.78 FAAH (0.43) FAAHCNR1CNR2HDAC1HDAC2
SCHEMBL20854298 0.78 FAAH (0.43) FAAHCNR1CNR2HDAC1HDAC2
SCHEMBL14764032 0.78 FAAH (0.43) FAAHCNR1CNR2HDAC1HDAC2
SCHEMBL16665386 0.78 FAAH (0.43) FAAHCNR1CNR2HDAC1HDAC2

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
WO-2015002996-A1 PRECISE DELIVERY OF THERAPEUTIC AGENTS TO CELL MITOCHONDRIA FOR ANTI-CANCER THERAPY UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2015-01-08 — — WO disclosed
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