SCHEMBL9510653

SCHEMBL9510653

[CH2]CC(C)CCOCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.43
CA1 P00915 4/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
MPO P05164 1/20 0.41
TPO P07202 1/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NAAA Q02083 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TACR1 P25103 2/20 0.38

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
SCHEMBL10911338 0.84 TSHR (0.50) TSHRCYP2C19CA1CA2CA7
SCHEMBL9841232 0.84 TSHR (0.50) TSHRCYP2C19CA1CA2CA7
SCHEMBL13246484 0.84 TSHR (0.50) TSHRCYP2C19CA1CA2CA7
SCHEMBL9841231 0.84 TSHR (0.50) TSHRCYP2C19CA1CA2CA7
SCHEMBL20207392 0.82 TSHR (0.48) TSHRCYP2C19CA1CA2CA7
SCHEMBL11121387 0.82 TSHR (0.48) TSHRCYP2C19CA1CA2CA7
SCHEMBL20177696 0.82 TSHR (0.48) TSHRCYP2C19CA1CA2CA7
SCHEMBL14402703 0.82 TSHR (0.48) TSHRCYP2C19CA1CA2CA7
SCHEMBL28425565 0.82 TSHR (0.48) TSHRCYP2C19CA1CA2CA7
SCHEMBL27894678 0.82 TSHR (0.48) TSHRCYP2C19CA1CA2CA7

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
EP-0282914-B1 PROCESS FOR PREPARING CHLORINATED OLEFINS KURARAY CO., LTD. (JP) 1993-09-29 EP disclosed
US-4827056-A HYPOCHLOROUS ACID KURARAY COMPANY LTD. (JP) 1989-05-02 US disclosed
EP-0282914-A2 Process for preparing chlorinated olefins KURARAY CO., LTD. (JP) 1988-09-21 EP disclosed