SCHEMBL9508252

SCHEMBL9508252

[CH2]C/C(C)=C/COCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.42
ALOX5 P09917 1/20 0.41
LSS P48449 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
CA1 P00915 4/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL9508258 1.00 TSHR (0.47) TSHRALDH1A1ALOX5LSSFNTA
SCHEMBL9508138 0.91 LSS (0.51) TSHRALOX5LSSTRPV1
SCHEMBL9508129 0.91 LSS (0.51) TSHRALOX5LSSTRPV1
SCHEMBL25776221 0.84 FNTA (0.51) TSHRALDH1A1ALOX5LSSFNTA
SCHEMBL25298017 0.84 FNTA (0.51) TSHRALDH1A1ALOX5LSSFNTA
SCHEMBL7462714 0.83 TSHR (0.47) TSHRALDH1A1ALOX5LSSFNTA
SCHEMBL7462710 0.83 TSHR (0.47) TSHRALDH1A1ALOX5LSSFNTA
SCHEMBL381981 0.82 TSHR (0.54) TSHRALDH1A1ALOX5CA1CA2
SCHEMBL2870331 0.80 LSS (0.49) TSHRALDH1A1ALOX5LSSFNTA
SCHEMBL2870332 0.80 LSS (0.49) TSHRALDH1A1ALOX5LSSFNTA

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