SCHEMBL7669281

SCHEMBL7669281

CCCC(C)C(C)[C](C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.39
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.36
NFKB1 P19838 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA1 P00915 2/20 0.31
FDPS P14324 1/20 0.31

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
SCHEMBL9763996 0.78 METAP1 (0.37) METAP1TSHR
SCHEMBL1782548 0.78 METAP1 (0.41) METAP1TSHRCYP3A4NFKB1NPSR1
SCHEMBL8751399 0.78 METAP1 (0.37) METAP1TSHR
SCHEMBL4653098 0.76 TSHR (0.40) METAP1TSHRFDPS
SCHEMBL4620572 0.75
SCHEMBL22027595 0.73 TSHR (0.44) METAP1TSHRCYP3A4NFKB1NPSR1
SCHEMBL598768 0.73 TSHR (0.44) METAP1TSHRCYP3A4NFKB1NPSR1
SCHEMBL1572707 0.72 CHRM1 (0.52) METAP1TSHRCYP3A4NFKB1NPSR1
SCHEMBL27283322 0.72 TSHR (0.36) TSHR
SCHEMBL20489974 0.72 METAP1 (0.41) METAP1TSHRCYP3A4NFKB1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6348474-B1 COMPOUNDS AS ANTIDIABETIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
US-5066696-A Tertiary-Alkyl-Substituted Melamines ROHM AND HAAS COMPANY (US) 1991-11-19 US disclosed
EP-0442680-A1 Polymers stabilized against light and heat degradation ROHM AND HAAS COMPANY (US) 1991-08-21 EP disclosed
CN-1010019-B Process for preparing N-formyl phosphonamidothioates SHELL INT RESEARCH (NL) 1990-10-17 CN disclosed
CN-86106331-A N-formyl radical sulfo-phosphonic amide ester 1987-06-03 CN disclosed