SCHEMBL6739719

SCHEMBL6739719

CCCCOC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
EPHX2 P34913 10/20 0.39
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
TSHR P16473 1/20 0.35
CYP3A4 P08684 1/20 0.34

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
SCHEMBL1324879 0.94 EPHX2 (0.42) DPP8DPP9EPHX2ALDH1A1NPSR1
SCHEMBL482480 0.89 ALDH1A1 (0.41) EPHX2ALDH1A1NPSR1MEN1HTT
Ammonia Solution, Strong SCHEMBL11635039 0.86 ALDH1A1 (0.41) EPHX2ALDH1A1NPSR1MEN1HTT
SCHEMBL31732784 0.80 GRIN2D (0.47) DPP8DPP9EPHX2ALDH1A1MEN1
SCHEMBL16682526 0.79 EPHX2 (0.44) EPHX2ALDH1A1NPSR1MEN1HTT
SCHEMBL6739715 0.78 ALDH1A1 (0.39) ALDH1A1NPSR1MEN1HTTKMT2A
SCHEMBL2340118 0.78 ALDH1A1 (0.39) EPHX2ALDH1A1NPSR1MEN1HTT
SCHEMBL2084363 0.77 EPHX2 (0.43) EPHX2ALDH1A1NPSR1MEN1HTT
SCHEMBL270387 0.77 NPSR1 (0.43) EPHX2ALDH1A1NPSR1MEN1HTT
Hydrochloric Acid SCHEMBL1677986 0.76 ALDH1A1 (0.44) EPHX2ALDH1A1NPSR1MEN1HTT

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-7754909-B1 Compounds and methods of arylmethylation (benzylation) as protection for alcohol groups during chemical synthesis The Florida State University Research Foundation, Inc. (US) 2010-07-13 US disclosed
US-20040076902-A1 Chemical amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US disclosed