SCHEMBL11535517

SCHEMBL11535517

CC=CCCOS(=O)CCCl.CCCCCCCCCCOS(=O)CCCl

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
FAAH O00519 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 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
SCHEMBL11228471 0.86 EPHX2 (0.41) EPHX2ALDH1A1TSHR
SCHEMBL11526350 0.86 EPHX2 (0.41) EPHX2ALDH1A1TSHR
SCHEMBL11530410 0.86 EPHX2 (0.41) EPHX2ALDH1A1TSHR
SCHEMBL11532021 0.86 EPHX2 (0.41) EPHX2ALDH1A1TSHR
SCHEMBL11527461 0.86 EPHX2 (0.41) EPHX2ALDH1A1TSHR
SCHEMBL11530451 0.84 EPHX2 (0.38) EPHX2ALDH1A1TSHR
SCHEMBL11220970 0.79 TSHR (0.36) EPHX2ALDH1A1TSHR
SCHEMBL11535521 0.73 EPHX2 (0.31) EPHX2
SCHEMBL29044713 0.73 EPHX2 (0.52) EPHX2ALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL31589124 0.68 MEN1 (0.48) ALDH1A1TSHR

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-4134752-A 2-HALO-ETHANE SULFINIC ACID OR ESTER SHELL OIL COMPANY (US) 1979-01-16 US disclosed