SCHEMBL8377133

SCHEMBL8377133

CCCCCOC(=O)CN(C)C

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.61
DNM1 Q05193 1/20 0.55
RAD52 P43351 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
FAAH O00519 2/20 0.50
DGKA P23743 1/20 0.50
HTR2C P28335 1/20 0.49
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
EPHX1 P07099 1/20 0.47
TSHR P16473 3/20 0.46
ALDH1A1 P00352 1/20 0.45
HCAR2 Q8TDS4 2/20 0.44
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.42

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
SCHEMBL1554449 0.98 NAAA (0.64) NAAADNM1RAD52NPSR1FAAH
SCHEMBL1553143 0.98 NAAA (0.64) NAAADNM1RAD52NPSR1FAAH
SCHEMBL1671755 0.98 NAAA (0.64) NAAADNM1RAD52NPSR1FAAH
SCHEMBL6667798 0.98 NAAA (0.64) NAAADNM1RAD52NPSR1FAAH
SCHEMBL8374691 0.98 NAAA (0.64) NAAADNM1RAD52NPSR1FAAH
SCHEMBL1672723 0.98 NAAA (0.64) NAAADNM1RAD52NPSR1FAAH
SCHEMBL2854828 0.98 NAAA (0.64) NAAADNM1RAD52NPSR1FAAH
SCHEMBL465967 0.98 NAAA (0.64) NAAADNM1RAD52NPSR1FAAH
SCHEMBL31136183 0.98 NAAA (0.64) NAAADNM1RAD52NPSR1FAAH
Hydrochloric Acid SCHEMBL10576792 0.96 NAAA (0.62) NAAADNM1RAD52NPSR1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5986042-A Cross-linked polymer MITSUI CHEMICALS, INC. (JP) 1999-11-16 US disclosed
EP-0856539-A1 Cross-linked polymer Mitsui Chemicals, Inc. (JP) 1998-08-05 EP disclosed
US-4965000-A Fabric softener composition and laundry cleaning article containing same KIMBERLY-CLARK CORPORATION (US) 1990-10-23 US disclosed
US-4203851-A FREE-FLOWING, QUATERNARY AMMONIUM COMPOUND, ORGANIC DETERGENT COLGATE-PALMOLIVE COMPANY (US) 1980-05-20 US disclosed