SCHEMBL7754101

SCHEMBL7754101

C[Si](C)(O[Si](C)(C)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
KCNN4 O15554 6/20 0.40
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 2/20 0.36
TAAR1 Q96RJ0 1/20 0.34
ESR1 P03372 2/20 0.33
CYP3A4 P08684 2/20 0.33
ESR2 Q92731 2/20 0.33
CES1 P23141 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6323711 0.73 MAPK1 (0.41) MAPK1KCNN4ALDH1A1ALOX15TSHR
SCHEMBL6602963 0.72 ALDH1A1 (0.39) MAPK1KCNN4ALDH1A1ALOX15TSHR
SCHEMBL3743994 0.72 KCNN4 (0.39) MAPK1KCNN4ALDH1A1ALOX15TSHR
SCHEMBL6322919 0.72 TSHR (0.43) MAPK1KCNN4ALDH1A1ALOX15TSHR
SCHEMBL10332646 0.72 KCNN4 (0.39) MAPK1KCNN4ALDH1A1ALOX15TSHR
SCHEMBL10332647 0.72 KCNN4 (0.43) MAPK1KCNN4ALDH1A1ALOX15TSHR
SCHEMBL6602971 0.72 ALDH1A1 (0.41) MAPK1KCNN4ALDH1A1ALOX15TSHR
SCHEMBL6860477 0.72 ALDH1A1 (0.43) MAPK1KCNN4ALDH1A1ALOX15TSHR
SCHEMBL20658081 0.72 MAPK1 (0.44) MAPK1KCNN4ALDH1A1ALOX15TSHR
SCHEMBL6324964 0.72 TSHR (0.43) MAPK1KCNN4ALDH1A1ALOX15TSHR

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-1070052-A1 FUNGICIDE COMPOSITIONS COMPRISING A HYDROXIMIC OR HYDRAZONIC GROUP AVENTIS CROPSCIENCE S.A. (FR) 2001-01-24 EP disclosed
WO-1999051579-A1 FUNGICIDE COMPOSITIONS COMPRISING A HYDROXIMIC OR HYDRAZONIC GROUP AVENTIS CROPSCIENCE S.A. (FR) 1999-10-14 WO disclosed