SCHEMBL14558263

SCHEMBL14558263

OCCOCCC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37
NFE2L2 Q16236 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.34
EPHX1 P07099 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
HPGD P15428 1/20 0.31
ESR2 Q92731 1/20 0.31
METAP1 P53582 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
SCHEMBL4593056 0.98 TSHR (0.46) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL17421874 0.98 MEN1 (0.50) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL19619093 0.88 TSHR (0.46) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL26999487 0.88 CYP1A2 (0.38) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL8986251 0.87 NFE2L2 (0.42) MEN1KMT2AHTTMAPTNFE2L2
SCHEMBL11022579 0.86 CYP1A2 (0.46) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL8743871 0.85 CYP1A2 (0.46) MEN1KMT2AHTTMAPTNFE2L2
SCHEMBL11224710 0.85 CYP1A2 (0.46) MEN1KMT2AHTTMAPTNFE2L2
SCHEMBL24042735 0.82 NFE2L2 (0.39) NFE2L2CYP1A2EPHX1SMN1; SMN2SIGMAR1
SCHEMBL21938959 0.82 CYP1A2 (0.44) MEN1KMT2AHTTMAPTNFE2L2

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
US-7195828-B2 Lubricant for magnetic recording medium and use thereof SHELL OIL COMPANY (US) 2007-03-27 US disclosed