SCHEMBL8078069

SCHEMBL8078069

COC(=O)C1=CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c2ccccc2C1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.35
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
ALOX15 P16050 1/20 0.31
GAA P10253 2/20 0.31
TRPA1 O75762 2/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8078283 0.91 CES2 (0.32) HDAC4HDAC7HDAC5
SCHEMBL8078315 0.80
SCHEMBL8078129 0.75 DRD2 (0.31)
SCHEMBL8082988 0.75 CA12 (0.36) ABL1TSHR
SCHEMBL8068507 0.73 HSD11B1 (0.37) ALOX15MTNR1AMTNR1BTSHRMEN1
SCHEMBL7718298 0.71 TRPA1 (0.32) ABL1TRPA1MTNR1AMTNR1BKDM4E
SCHEMBL13883491 0.70 IDO1 (0.54) MEN1KMT2AALDH1A1
SCHEMBL5912734 0.68 TSHR (0.37) ABL1ALOX15TSHRALDH1A1HPGD
SCHEMBL2258581 0.68 TSHR (0.37) ABL1ALOX15TSHRALDH1A1HPGD
SCHEMBL8078279 0.67 KDM4E (0.32) ALOX15TSHRKDM4EALDH1A1HPGD

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-1030834-A1 BENZOCYCLOHEPTENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-30 EP disclosed
WO-1999024397-A1 BENZOCYCLOHEPTENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-05-20 WO disclosed