SCHEMBL10348407

SCHEMBL10348407

COC(=O)CCOc1ccccc1Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.44
PPARG P37231 2/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
LMNA P02545 3/20 0.44
TSHR P16473 1/20 0.44
CACNA1H O95180 1/20 0.43
MAPK14 Q16539 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 2/20 0.43
ALOX5 P09917 1/20 0.42
PSEN1 P49768 1/20 0.42
LIPE Q05469 1/20 0.42
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
MTNR1B P49286 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
MEN1 O00255 1/20 0.41
LTA4H P09960 1/20 0.41

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
SCHEMBL10675484 0.85 LMNA (0.54) PPARGPPARDPPARALMNAMAPK14
SCHEMBL21992617 0.85 LTA4H (0.49) CACNA1BPPARGPPARDPPARALMNA
SCHEMBL21991262 0.83 ALDH1A1 (0.53) PPARGPPARDPPARALMNAHTT
SCHEMBL7747385 0.79 HPGD (0.47) CACNA1BLMNACACNA1HMAPK14HPGD
SCHEMBL11345574 0.79 MAPT (0.57) PPARDLMNAHPGDKMT2AMAPT
SCHEMBL21991845 0.76 MAOB (0.63) PPARGPPARAKMT2AMEN1
SCHEMBL8748928 0.76 FFAR1 (0.54) PPARGPPARDPPARALMNAKMT2A
SCHEMBL28638978 0.75 L3MBTL1 (0.52) CACNA1BLMNATSHRMAPK14HPGD
SCHEMBL9840493 0.74 S1PR5 (0.47) PPARGPPARDPPARALMNAMAPK14
SCHEMBL23606009 0.74 ALDH1A1 (0.59) CACNA1BPPARGPPARDPPARALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0163236-B1 BENZOXAZOLYL AND BENZOTHIAZOLYL AMINOACIDS, THEIR PREPARATION AND THEIR USE IN THE PRESERVATION OF PLANTS HOECHST AKTIENGESELLSCHAFT (DE) 1990-04-25 EP disclosed
US-4814459-A REDUCING PHYTOTOXICITY OF HERBICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1989-03-21 US disclosed