SCHEMBL9875285

SCHEMBL9875285

CCCCCC1OC1CBr

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
SPHK1 Q9NYA1 7/20 0.36
SPHK2 Q9NRA0 6/20 0.36
EPHX1 P07099 1/20 0.35
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
POLB P06746 1/20 0.32
FASN P49327 1/20 0.32
CTSK P43235 1/20 0.31
DAGLA Q9Y4D2 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
SCHEMBL51206 0.87 ALDH1A1 (0.46) ALDH1A1SPHK1SPHK2EPHX1TSHR
SCHEMBL3291764 0.86 CTSK (0.40) ALDH1A1SPHK1SPHK2EPHX1TSHR
SCHEMBL11688324 0.85 ALDH1A1 (0.50) ALDH1A1SPHK1SPHK2EPHX1TSHR
SCHEMBL8855705 0.85 ALDH1A1 (0.50) ALDH1A1SPHK1SPHK2EPHX1TSHR
SCHEMBL11687578 0.85 ALDH1A1 (0.50) ALDH1A1SPHK1SPHK2EPHX1TSHR
SCHEMBL8855829 0.85 ALDH1A1 (0.50) ALDH1A1SPHK1SPHK2EPHX1TSHR
SCHEMBL11809342 0.85 ALDH1A1 (0.50) ALDH1A1SPHK1SPHK2EPHX1TSHR
SCHEMBL5685367 0.85 ALDH1A1 (0.50) ALDH1A1SPHK1SPHK2EPHX1TSHR
SCHEMBL11689950 0.85 ALDH1A1 (0.50) ALDH1A1SPHK1SPHK2EPHX1TSHR
SCHEMBL8855730 0.85 ALDH1A1 (0.50) ALDH1A1SPHK1SPHK2EPHX1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5001213-A Thermosetting resin compositions SHELL OIL COMPANY (US) 1991-03-19 US disclosed
US-4933423-A Thermosetting resin compositions SHELL OIL COMPANY (US) 1990-06-12 US disclosed
US-4895942-A Novel epoxy compounds SHELL OIL COMPANY (US) 1990-01-23 US disclosed